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81655-41-6,MFCD00066637
Catalog No.:AA00G31W

81655-41-6 | (+/-)-Alpha-methoxy-alpha-trifluoromethylphenylacetic acid

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1g
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1 week  
$135.00   $94.00
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5g
97%
1 week  
$424.00   $297.00
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25g
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1 week  
$1,029.00   $720.00
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00G31W
Chemical Name:
(+/-)-Alpha-methoxy-alpha-trifluoromethylphenylacetic acid
CAS Number:
81655-41-6
Molecular Formula:
C10H9F3O3
Molecular Weight:
234.1719
MDL Number:
MFCD00066637
SMILES:
COC(C(F)(F)F)(c1ccccc1)C(=O)O
NSC Number:
370475
Properties
Computed Properties
 
Complexity:
259  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
1  
XLogP3:
2.3  

Literature

Title: First isolation of disubstituted cis-5,6-dihydro-1,10-phenanthrolines. Lipase-mediated resolution of cis- and trans-phenoxy alcohol isomers and assignment of absolute stereochemistry via CD and NMR spectroscopy.

Journal: Chirality 20120301

Title: Inhibition of virulence gene expression in Staphylococcus aureus by novel depsipeptides from a marine photobacterium.

Journal: Marine drugs 20111201

Title: Optimizing dirhodium(II) tetrakiscarboxylates as chiral NMR auxiliaries.

Journal: Organic & biomolecular chemistry 20111007

Title: Simultaneous determination of serine enantiomers in plasma using Mosher's reagent and stable isotope dilution gas chromatography-mass spectrometry.

Journal: Journal of mass spectrometry : JMS 20110501

Title: Balticolid: a new 12-membered macrolide with antiviral activity from an ascomycetous fungus of marine origin.

Journal: Marine drugs 20110101

Title: Chemical constituents from Aphanamixis grandifolia.

Journal: Chemical & pharmaceutical bulletin 20101101

Title: Assignment of the structure of petrocortyne A by mixture syntheses of four candidate stereoisomers.

Journal: The Journal of organic chemistry 20100507

Title: Long-range shielding effects in the (1)H NMR spectra of Mosher-like ester derivatives.

Journal: Organic letters 20100416

Title: Chiral NMR discrimination of the diastereoisomeric salts of the H3-antagonist 2-[3-(1H-imidazol-4-ylmethyl)piperidin-1-yl]-1H-benzimidazole.

Journal: Magnetic resonance in chemistry : MRC 20090601

Title: A new method proposed for the determination of absolute configurations of alpha-amino acids.

Journal: Magnetic resonance in chemistry : MRC 20090301

Title: Atropisomeric 3-aryl-2-oxo-4-oxazolidinones and some thione analogues--enantiodifferentiation and ligand competition in applying the dirhodium method.

Journal: Chirality 20080301

Title: Origin of 13C complexation shifts in the adduct formation of 2-butyl phenyl ethers with a dirhodium tetracarboxylate complex.

Journal: Magnetic resonance in chemistry : MRC 20080101

Title: 1-Benzotriazol-1-yl-3,3,3-trifluoro-2-methoxy-2- phenylpropan-1-ones: Mosher-Bt reagents.

Journal: The Journal of organic chemistry 20070525

Title: Mosher ester analysis for the determination of absolute configuration of stereogenic (chiral) carbinol carbons.

Journal: Nature protocols 20070101

Title: Preparation of single-enantiomer 2-methyl-4-heptanol, a pheromone of Metamasius hemipterus, using (S)-2-methoxy-2-(1-naphthyl)propionic acid.

Journal: Journal of chromatography. A 20060602

Title: Neural systems of reinforcement for drug addiction: from actions to habits to compulsion.

Journal: Nature neuroscience 20051101

Title: Enantiomeric determination of ephedrines and norephedrines by chiral derivatization gas chromatography-mass spectrometry approaches.

Journal: Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20051015

Title: Synthesis of (R)- and (S)-3,3,3-trifluoro-2-phenylpropanoyl isocyanates and their use as reactive analogues of Mosher's acid.

Journal: Chirality 20050801

Title: Total structural assignment and absolute configuration of terreinol by 13C and 1H NMR.

Journal: Magnetic resonance in chemistry : MRC 20050301

Title: New chiral selectors: design and synthesis of 6-TBDMS-2,3-methyl beta-cyclodextrin 2-2' thioureido dimer and 6-TBDMS-2,3-methyl (or 2-methyl-3-acetyl) beta-cyclodextrin bearing an (R) Mosher acid moiety.

Journal: Chirality 20041001

Title: Determination of 3(1)-stereochemistry in synthetic bacteriochlorophyll-d homologues and self-aggregation of their zinc complexes.

Journal: Bioorganic & medicinal chemistry 20040401

Title: Synthesis and properties of thiazoline based ionic liquids derived from the chiral pool.

Journal: Chemical communications (Cambridge, England) 20031207

Title: Biotransformation of citronellal by Solanum aviculare suspension cultures: preparation of p-menthane-3,8-diols and determination of their absolute configurations.

Journal: Journal of natural products 20030901

Title: Chiral phospholene and phospholane chalcogenides: stereochemistry and chiral recognition by multinuclear NMR spectroscopy of their Rh2[(R)-MTPA]4 adducts.

Journal: Chirality 20030515

Title: [Three dimensional structure analysis of organic chemical compounds from natural sources using NMR spectral analysis].

Journal: Kokuritsu Iyakuhin Shokuhin Eisei Kenkyujo hokoku = Bulletin of National Institute of Health Sciences 20030101

Title: First direct discrimination of chiral phosphine selenide (P=Se) derivatives by multinuclear magnetic resonance spectroscopy in the presence of a chiral dirhodium complex.

Journal: Chirality 20020515

Title: Stereochemical assignment of naturally occurring 2,3-epoxy-2-methylbutanoate esters.

Journal: Phytochemical analysis : PCA 20020101

Title: Toxicokinetics and metabolism of 1,2-diethylbenzene in male Sprague Dawley rats--part 2: evidence for in vitro and in vivo stereoselectivity of 1,2-diethylbenzene metabolism.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20010601

Title: The total syntheses of D-erythro-sphingosine, N-palmitoylsphingosine (ceramide), and glucosylceramide (cerebroside) via an azidosphingosine analog.

Journal: Chemistry and physics of lipids 20010601

Title: First direct discrimination of chiral phosphorus thionate (P=S) derivatives by multinuclear magnetic resonance spectroscopy in the presence of a chiral dirhodium complex.

Journal: Chirality 20010505

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Tags:81655-41-6 Molecular Formula|81655-41-6 MDL|81655-41-6 SMILES|81655-41-6 (+/-)-Alpha-methoxy-alpha-trifluoromethylphenylacetic acid