2037-26-5,MFCD00044638
Catalog No.:AA00I3RJ

2037-26-5 | Benzene-d5, methyl-d3-

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Purity
Availability
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Quantity
  
1g
95%
in stock  
$24.00   $17.00
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
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Technical Information
Catalog Number:
AA00I3RJ
Chemical Name:
Benzene-d5, methyl-d3-
CAS Number:
2037-26-5
Molecular Formula:
C7D8
Molecular Weight:
100.1877
MDL Number:
MFCD00044638
SMILES:
c1([2H])c([2H])c([2H])c(c(c1C([2H])([2H])[2H])[2H])[2H]
Properties
Computed Properties
 
Complexity:
42  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
0  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
8  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.7  

Literature

Title: Characterization of DMSO coordination to palladium(II) in solution and insights into the aerobic oxidation catalyst, Pd(DMSO)2(TFA)2.

Journal: Inorganic chemistry 20121105

Title: Synthetic and computational studies of the palladium(IV) system Pd(alkyl)(aryl)(alkynyl)(bidentate)(triflate) exhibiting selectivity in C-C reductive elimination.

Journal: Dalton transactions (Cambridge, England : 2003) 20121014

Title: Hydrogenolysis of β-O-4 lignin model dimers by a ruthenium-xantphos catalyst.

Journal: Dalton transactions (Cambridge, England : 2003) 20120828

Title: Role of entropy and autosolvation in dimerization and complexation of C60 by Zn7 metallocavitands.

Journal: Inorganic chemistry 20120319

Title: Stable carbon and hydrogen isotope fractionation of dissolved organic groundwater pollutants by equilibrium sorption.

Journal: Journal of contaminant hydrology 20120315

Title: Mechanisms behind the generation of protonated ions for polyaromatic hydrocarbons by atmospheric pressure photoionization.

Journal: Analytical chemistry 20120117

Title: Regression formulas for density functional theory calculated 1H and 13C NMR chemical shifts in toluene-d8.

Journal: The journal of physical chemistry. A 20111110

Title: Photosensitizer drug delivery via an optical fiber.

Journal: Journal of the American Chemical Society 20110525

Title: Comparative NMR properties of H2 and HD in toluene-d8 and in H2/HD@C60.

Journal: The journal of physical chemistry. B 20101118

Title: Silyl and sigma-silane ruthenium complexes: chloride substituent effects on the catalysed silylation of ethylene.

Journal: Dalton transactions (Cambridge, England : 2003) 20100928

Title: Bis{μ-4,4',6,6'-tetra-tert-butyl-2,2'-[N-(2-oxidoeth-yl)imino-dimethyl-ene]diphenolato}dialuminium(III).

Journal: Acta crystallographica. Section E, Structure reports online 20100801

Title: (1R,6R,13R,18R)-(Z,Z)-1,18-Bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,16-dimethyl-ene-8,20-diaza-dispiro-[5.6.5.6]tetra-cosa-7,19-diene.

Journal: Acta crystallographica. Section E, Structure reports online 20100701

Title: Dynamic NMR spectroscopy of three 2,2'-dialkyl/aryl-1-picrylhydrazines in liquid solution.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20100101

Title: Evaluation of internal standards for the analysis of ignitable liquids in fire debris.

Journal: Journal of forensic sciences 20090301

Title: Structure and dynamics of reverse micelles containing supercooled water investigated by neutron scattering.

Journal: Physical review. E, Statistical, nonlinear, and soft matter physics 20090301

Title: Assessing in situ rates of anaerobic hydrocarbon bioremediation.

Journal: Microbial biotechnology 20090301

Title: A combined NMR, DFT, and X-ray investigation of some cinchona alkaloid O-ethers.

Journal: The Journal of organic chemistry 20080905

Title: Selective trace analysis of diclofenac in surface and wastewater samples using solid-phase extraction with a new molecularly imprinted polymer.

Journal: Analytica chimica acta 20080714

Title: Metal fluorides form strong hydrogen bonds and halogen bonds: measuring interaction enthalpies and entropies in solution.

Journal: Journal of the American Chemical Society 20080625

Title: Structure-function relationships in high-density docosylsilane bonded stationary phases by Raman spectroscopy and comparison to octadecylsilane bonded stationary phases: effects of aromatic compounds.

Journal: Journal of chromatography. A 20080606

Title: Structure-function relationships in high-density docosylsilane bonded stationary phases by Raman spectroscopy and comparison to octadecylsilane bonded stationary phases: effects of common solvents.

Journal: Analytical chemistry 20080415

Title: Synthesis, structures, and kinetics of mixed-donor amido-amino-siloxo ligands from symmetrical diamidosilyl ether ligands via a retro-brook rearrangement.

Journal: Inorganic chemistry 20080204

Title: Intramolecular trapping of an intermediate in the reduction of imines by a hydroxycyclopentadienyl ruthenium hydride: support for a concerted outer sphere mechanism.

Journal: Journal of the American Chemical Society 20070926

Title: Atmospheric pressure photoionization proton transfer for complex organic mixtures investigated by fourier transform ion cyclotron resonance mass spectrometry.

Journal: Journal of the American Society for Mass Spectrometry 20070901

Title: Reaction of bis[bis(tri-tert-butoxysilanethiolato) cadmium(II)] with 3,5-dimethylpyridine - 113Cd NMR solution study.

Journal: Magnetic resonance in chemistry : MRC 20070501

Title: Half-sandwich hydride complexes of ruthenium with bidentate phosphinoamine ligands: proton-transfer reactions to [(C5R5)RuH(L)] [R = H, Me; L = dippae, (R,R)-dippach].

Journal: Inorganic chemistry 20070205

Title: Temperature- and solvent-dependent binding of dihydrogen in iridium pincer complexes.

Journal: Journal of the American Chemical Society 20061227

Title: Dipyrrolyl precursors to bisalkoxide molybdenum olefin metathesis catalysts.

Journal: Journal of the American Chemical Society 20061220

Title: The solution structures and dynamics and the solid-state structures of substituted cyclopentadienyltitanium(IV) trifluorides.

Journal: Inorganic chemistry 20060918

Title: Sensing of chiral fullerenes by a cyclic host with an asymmetrically distorted pi-electronic component.

Journal: Journal of the American Chemical Society 20060823

Title: A multitracer test proving the reliability of Rayleigh equation-based approach for assessing biodegradation in a BTEX contaminated aquifer.

Journal: Environmental science & technology 20060701

Title: Vibrational assignment, integrated intensities of liquid toluene-d8 from 4000 to 450 cm-1 at 25 degrees C.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20060515

Title: Aluminacyclopropene: syntheses, characterization, and reactivity toward terminal alkynes.

Journal: Journal of the American Chemical Society 20060419

Title: Comments on the ring-opening polymerization of morpholine-2,5-dione derivatives by various metal catalysts and characterization of the products formed in the reactions involving R2SnX2, where X = OPr(i) and NMe2 and R = Bu(n), Ph and p-Me2NC6H4.

Journal: Dalton transactions (Cambridge, England : 2003) 20060214

Title: Study of a bisquaternary ammonium salt by atmospheric pressure photoionization mass spectrometry.

Journal: European journal of mass spectrometry (Chichester, England) 20060101

Title: Enantioselective addition of secondary phosphines to methacrylonitrile: catalysis and mechanism.

Journal: Journal of the American Chemical Society 20051207

Title: Reactions of chlorine atoms with a series of aromatic hydrocarbons.

Journal: Environmental science & technology 20050715

Title: Accelerated arene ligand exchange in the (Arene)Cr(CO)2L series.

Journal: Journal of the American Chemical Society 20050601

Title: Stereoselective enolizations mediated by magnesium and calcium bisamides: contrasting aggregation behavior in solution and in the solid state.

Journal: Journal of the American Chemical Society 20050518

Title: Deprotonation reactions of zirconium and hafnium amide complexes H2N-M[N(SiMe3)2]3 and subsequent silyl migration from amide -N(SiMe3)2 to imide =NH ligands.

Journal: Inorganic chemistry 20050307

Title: Unusually stable molecular capsule formation of a tetraphenyleneurea cavitand.

Journal: Organic letters 20041125

Title: Crankshaft motion in a highly congested bis(triarylmethyl)peroxide.

Journal: Journal of the American Chemical Society 20041117

Title: Frustrated beta-chloride elimination. Selective arene alkylation by alpha-chloronorbornene catalyzed by electrophilic metallocenium ion pairs.

Journal: Journal of the American Chemical Society 20041006

Title: Discrete bridging and terminal copper carbenes in copper-catalyzed cyclopropanation.

Journal: Journal of the American Chemical Society 20040818

Title: Characterization of pore structure in a nanoporous low-dielectric-constant thin film by neutron porosimetry and X-ray porosimetry.

Journal: Langmuir : the ACS journal of surfaces and colloids 20040803

Title: Atropisomerization, C-H activation, and dissociative substitution at some biphenyl platinum(II) complexes.

Journal: Journal of the American Chemical Society 20040526

Title: Catalytic propene polymerization: determination of propagation, termination, and epimerization kinetics by direct NMR observation of the (EBI)Zr(MeB(C6F5)3)propenyl catalyst species.

Journal: Journal of the American Chemical Society 20030820

Title: Reductive elimination/oxidative addition of carbon-hydrogen bonds at Pt(IV)/Pt(II) centers: mechanistic studies of the solution thermolyses of Tp(Me2)Pt(CH3)2H.

Journal: Journal of the American Chemical Society 20030716

Title: Analysis of cigarette smoke by an online thermal desorption system and multidimensional GC-MS.

Journal: Journal of chromatographic science 20030701

Title: A supramolecular oscillator composed of carbon nanocluster C(120) and a rhodium(III) porphyrin cyclic dimer.

Journal: Journal of the American Chemical Society 20021016

Title: In situ transformation of deuterated toluene and xylene to benzylsuccinic acid analogues in BTEX-contaminated aquifers.

Journal: Environmental science & technology 20021001

Title: Flocculation behavior of asphaltenes in solvent/nonsolvent systems.

Journal: Journal of colloid and interface science 20020901

Title: Activation of arene C[bond]H bonds by a cationic hafnium silyl complex possessing an alpha-agostic Si[bond]H interaction.

Journal: Journal of the American Chemical Society 20020619

Title: Coordination chemistry and reactivity of monomeric alkoxides and amides of magnesium and zinc supported by the diiminato ligand CH(CMeNC(6)H(3)-2,6-(i)Pr(2))(2). A comparative study.

Journal: Inorganic chemistry 20020520

Title: Kinetics and mechanism of rhenium-catalyzed oxygen atom transfer from pyridine N-oxides to phosphines.

Journal: Inorganic chemistry 20020422

Title: The synthesis and reactivity of a molybdenum (IV) stretched-dihydrogen complex.

Journal: Journal of the American Chemical Society 20020213

Title: Consequences of correlated solvation on the structures and reactivities of RLi-diamine complexes: 1,2-addition and alpha-lithiation reactions of imines by TMEDA-solvated n-butyllithium and phenyllithium.

Journal: Journal of the American Chemical Society 20020116

Title: Embracing C(60) with multiarmed geodesic partners.

Journal: Journal of the American Chemical Society 20011226

Title: Isomer formation and other issues in the substitution reactions of oxorhenium(V) complexes of 2,2'-bipyridine and related ligands.

Journal: Inorganic chemistry 20011217

Title: Monomeric and dimeric amidinate complexes of magnesium.

Journal: Inorganic chemistry 20011203

Title: Changing the ortho/para ratio in aromatic acylation reactions by changing reaction conditions: a mechanistic explanation from kinetic measurements.

Journal: Journal of the American Chemical Society 20010418

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SDS
Tags:2037-26-5 Molecular Formula|2037-26-5 MDL|2037-26-5 SMILES|2037-26-5 Benzene-d5, methyl-d3-
Catalog No.: AA00I3RJ
2037-26-5,MFCD00044638
2037-26-5 | Benzene-d5, methyl-d3-
Pack Size: 1g
Purity: 95%
in stock
$24.00 $17.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00I3RJ
Chemical Name: Benzene-d5, methyl-d3-
CAS Number: 2037-26-5
Molecular Formula: C7D8
Molecular Weight: 100.1877
MDL Number: MFCD00044638
SMILES: c1([2H])c([2H])c([2H])c(c(c1C([2H])([2H])[2H])[2H])[2H]
Properties
Complexity: 42  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 7  
Hydrogen Bond Acceptor Count: 0  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 8  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.7  
Literature fold

Title: Characterization of DMSO coordination to palladium(II) in solution and insights into the aerobic oxidation catalyst, Pd(DMSO)2(TFA)2.

Journal: Inorganic chemistry20121105

Title: Synthetic and computational studies of the palladium(IV) system Pd(alkyl)(aryl)(alkynyl)(bidentate)(triflate) exhibiting selectivity in C-C reductive elimination.

Journal: Dalton transactions (Cambridge, England : 2003)20121014

Title: Hydrogenolysis of β-O-4 lignin model dimers by a ruthenium-xantphos catalyst.

Journal: Dalton transactions (Cambridge, England : 2003)20120828

Title: Role of entropy and autosolvation in dimerization and complexation of C60 by Zn7 metallocavitands.

Journal: Inorganic chemistry20120319

Title: Stable carbon and hydrogen isotope fractionation of dissolved organic groundwater pollutants by equilibrium sorption.

Journal: Journal of contaminant hydrology20120315

Title: Mechanisms behind the generation of protonated ions for polyaromatic hydrocarbons by atmospheric pressure photoionization.

Journal: Analytical chemistry20120117

Title: Regression formulas for density functional theory calculated 1H and 13C NMR chemical shifts in toluene-d8.

Journal: The journal of physical chemistry. A20111110

Title: Photosensitizer drug delivery via an optical fiber.

Journal: Journal of the American Chemical Society20110525

Title: Comparative NMR properties of H2 and HD in toluene-d8 and in H2/HD@C60.

Journal: The journal of physical chemistry. B20101118

Title: Silyl and sigma-silane ruthenium complexes: chloride substituent effects on the catalysed silylation of ethylene.

Journal: Dalton transactions (Cambridge, England : 2003)20100928

Title: Bis{μ-4,4',6,6'-tetra-tert-butyl-2,2'-[N-(2-oxidoeth-yl)imino-dimethyl-ene]diphenolato}dialuminium(III).

Journal: Acta crystallographica. Section E, Structure reports online20100801

Title: (1R,6R,13R,18R)-(Z,Z)-1,18-Bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,16-dimethyl-ene-8,20-diaza-dispiro-[5.6.5.6]tetra-cosa-7,19-diene.

Journal: Acta crystallographica. Section E, Structure reports online20100701

Title: Dynamic NMR spectroscopy of three 2,2'-dialkyl/aryl-1-picrylhydrazines in liquid solution.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy20100101

Title: Evaluation of internal standards for the analysis of ignitable liquids in fire debris.

Journal: Journal of forensic sciences20090301

Title: Structure and dynamics of reverse micelles containing supercooled water investigated by neutron scattering.

Journal: Physical review. E, Statistical, nonlinear, and soft matter physics20090301

Title: Assessing in situ rates of anaerobic hydrocarbon bioremediation.

Journal: Microbial biotechnology20090301

Title: A combined NMR, DFT, and X-ray investigation of some cinchona alkaloid O-ethers.

Journal: The Journal of organic chemistry20080905

Title: Selective trace analysis of diclofenac in surface and wastewater samples using solid-phase extraction with a new molecularly imprinted polymer.

Journal: Analytica chimica acta20080714

Title: Metal fluorides form strong hydrogen bonds and halogen bonds: measuring interaction enthalpies and entropies in solution.

Journal: Journal of the American Chemical Society20080625

Title: Structure-function relationships in high-density docosylsilane bonded stationary phases by Raman spectroscopy and comparison to octadecylsilane bonded stationary phases: effects of aromatic compounds.

Journal: Journal of chromatography. A20080606

Title: Structure-function relationships in high-density docosylsilane bonded stationary phases by Raman spectroscopy and comparison to octadecylsilane bonded stationary phases: effects of common solvents.

Journal: Analytical chemistry20080415

Title: Synthesis, structures, and kinetics of mixed-donor amido-amino-siloxo ligands from symmetrical diamidosilyl ether ligands via a retro-brook rearrangement.

Journal: Inorganic chemistry20080204

Title: Intramolecular trapping of an intermediate in the reduction of imines by a hydroxycyclopentadienyl ruthenium hydride: support for a concerted outer sphere mechanism.

Journal: Journal of the American Chemical Society20070926

Title: Atmospheric pressure photoionization proton transfer for complex organic mixtures investigated by fourier transform ion cyclotron resonance mass spectrometry.

Journal: Journal of the American Society for Mass Spectrometry20070901

Title: Reaction of bis[bis(tri-tert-butoxysilanethiolato) cadmium(II)] with 3,5-dimethylpyridine - 113Cd NMR solution study.

Journal: Magnetic resonance in chemistry : MRC20070501

Title: Half-sandwich hydride complexes of ruthenium with bidentate phosphinoamine ligands: proton-transfer reactions to [(C5R5)RuH(L)] [R = H, Me; L = dippae, (R,R)-dippach].

Journal: Inorganic chemistry20070205

Title: Temperature- and solvent-dependent binding of dihydrogen in iridium pincer complexes.

Journal: Journal of the American Chemical Society20061227

Title: Dipyrrolyl precursors to bisalkoxide molybdenum olefin metathesis catalysts.

Journal: Journal of the American Chemical Society20061220

Title: The solution structures and dynamics and the solid-state structures of substituted cyclopentadienyltitanium(IV) trifluorides.

Journal: Inorganic chemistry20060918

Title: Sensing of chiral fullerenes by a cyclic host with an asymmetrically distorted pi-electronic component.

Journal: Journal of the American Chemical Society20060823

Title: A multitracer test proving the reliability of Rayleigh equation-based approach for assessing biodegradation in a BTEX contaminated aquifer.

Journal: Environmental science & technology20060701

Title: Vibrational assignment, integrated intensities of liquid toluene-d8 from 4000 to 450 cm-1 at 25 degrees C.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy20060515

Title: Aluminacyclopropene: syntheses, characterization, and reactivity toward terminal alkynes.

Journal: Journal of the American Chemical Society20060419

Title: Comments on the ring-opening polymerization of morpholine-2,5-dione derivatives by various metal catalysts and characterization of the products formed in the reactions involving R2SnX2, where X = OPr(i) and NMe2 and R = Bu(n), Ph and p-Me2NC6H4.

Journal: Dalton transactions (Cambridge, England : 2003)20060214

Title: Study of a bisquaternary ammonium salt by atmospheric pressure photoionization mass spectrometry.

Journal: European journal of mass spectrometry (Chichester, England)20060101

Title: Enantioselective addition of secondary phosphines to methacrylonitrile: catalysis and mechanism.

Journal: Journal of the American Chemical Society20051207

Title: Reactions of chlorine atoms with a series of aromatic hydrocarbons.

Journal: Environmental science & technology20050715

Title: Accelerated arene ligand exchange in the (Arene)Cr(CO)2L series.

Journal: Journal of the American Chemical Society20050601

Title: Stereoselective enolizations mediated by magnesium and calcium bisamides: contrasting aggregation behavior in solution and in the solid state.

Journal: Journal of the American Chemical Society20050518

Title: Deprotonation reactions of zirconium and hafnium amide complexes H2N-M[N(SiMe3)2]3 and subsequent silyl migration from amide -N(SiMe3)2 to imide =NH ligands.

Journal: Inorganic chemistry20050307

Title: Unusually stable molecular capsule formation of a tetraphenyleneurea cavitand.

Journal: Organic letters20041125

Title: Crankshaft motion in a highly congested bis(triarylmethyl)peroxide.

Journal: Journal of the American Chemical Society20041117

Title: Frustrated beta-chloride elimination. Selective arene alkylation by alpha-chloronorbornene catalyzed by electrophilic metallocenium ion pairs.

Journal: Journal of the American Chemical Society20041006

Title: Discrete bridging and terminal copper carbenes in copper-catalyzed cyclopropanation.

Journal: Journal of the American Chemical Society20040818

Title: Characterization of pore structure in a nanoporous low-dielectric-constant thin film by neutron porosimetry and X-ray porosimetry.

Journal: Langmuir : the ACS journal of surfaces and colloids20040803

Title: Atropisomerization, C-H activation, and dissociative substitution at some biphenyl platinum(II) complexes.

Journal: Journal of the American Chemical Society20040526

Title: Catalytic propene polymerization: determination of propagation, termination, and epimerization kinetics by direct NMR observation of the (EBI)Zr(MeB(C6F5)3)propenyl catalyst species.

Journal: Journal of the American Chemical Society20030820

Title: Reductive elimination/oxidative addition of carbon-hydrogen bonds at Pt(IV)/Pt(II) centers: mechanistic studies of the solution thermolyses of Tp(Me2)Pt(CH3)2H.

Journal: Journal of the American Chemical Society20030716

Title: Analysis of cigarette smoke by an online thermal desorption system and multidimensional GC-MS.

Journal: Journal of chromatographic science20030701

Title: A supramolecular oscillator composed of carbon nanocluster C(120) and a rhodium(III) porphyrin cyclic dimer.

Journal: Journal of the American Chemical Society20021016

Title: In situ transformation of deuterated toluene and xylene to benzylsuccinic acid analogues in BTEX-contaminated aquifers.

Journal: Environmental science & technology20021001

Title: Flocculation behavior of asphaltenes in solvent/nonsolvent systems.

Journal: Journal of colloid and interface science20020901

Title: Activation of arene C[bond]H bonds by a cationic hafnium silyl complex possessing an alpha-agostic Si[bond]H interaction.

Journal: Journal of the American Chemical Society20020619

Title: Coordination chemistry and reactivity of monomeric alkoxides and amides of magnesium and zinc supported by the diiminato ligand CH(CMeNC(6)H(3)-2,6-(i)Pr(2))(2). A comparative study.

Journal: Inorganic chemistry20020520

Title: Kinetics and mechanism of rhenium-catalyzed oxygen atom transfer from pyridine N-oxides to phosphines.

Journal: Inorganic chemistry20020422

Title: The synthesis and reactivity of a molybdenum (IV) stretched-dihydrogen complex.

Journal: Journal of the American Chemical Society20020213

Title: Consequences of correlated solvation on the structures and reactivities of RLi-diamine complexes: 1,2-addition and alpha-lithiation reactions of imines by TMEDA-solvated n-butyllithium and phenyllithium.

Journal: Journal of the American Chemical Society20020116

Title: Embracing C(60) with multiarmed geodesic partners.

Journal: Journal of the American Chemical Society20011226

Title: Isomer formation and other issues in the substitution reactions of oxorhenium(V) complexes of 2,2'-bipyridine and related ligands.

Journal: Inorganic chemistry20011217

Title: Monomeric and dimeric amidinate complexes of magnesium.

Journal: Inorganic chemistry20011203

Title: Changing the ortho/para ratio in aromatic acylation reactions by changing reaction conditions: a mechanistic explanation from kinetic measurements.

Journal: Journal of the American Chemical Society20010418

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