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42013-20-7,MFCD00050991
Catalog No.:AA003HMP

42013-20-7 | 2-Methylhippuric acid

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1g
98%(HPLC)
in stock  
$31.00   $22.00
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5g
97%
in stock  
$61.00   $43.00
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25g
97%
in stock  
$187.00   $131.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003HMP
Chemical Name:
2-Methylhippuric acid
CAS Number:
42013-20-7
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
MDL Number:
MFCD00050991
SMILES:
OC(=O)CNC(=O)c1ccccc1C
NSC Number:
163983
Properties
Properties
 
BP:
419.2°C at 760 mmHg  
Form:
Solid  
MP:
161-164 °C(lit.)  
Refractive Index:
1.5300 (estimate)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
227  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
3  
XLogP3:
0.7  

Downstream Synthesis Route
98-01-1    42013-20-7   
4-furfurylidene-2-<i>o</i>-tolyl-4<i>H</i>-oxazol-5-one 

[1]GazzettaChimicaItaliana,1955,vol.85,p.374,377,378

[1]JustusLiebigsAnnalenderChemie,1900,vol.312,p.74

[1]JustusLiebigsAnnalenderChemie,1889,vol.250,p.378

[2]Chemicalandpharmaceuticalbulletin,1984,vol.32,p.3100-3104

[3]Tetrahedron,2013,vol.69,p.7019-7025

[4]TetrahedronLetters,2015,vol.56,p.851-855

[5]AngewandteChemie-InternationalEdition,2020,vol.59,p.5371-5375    Angew.Chem.,2020,vol.132,p.5409-5413,5

42013-20-7    122-51-0   
4-ethoxymethylene-2-<i>o</i>-tolyl-4<i>H</i>-oxazol-5-one 

[1]ChemistryofPenicillin,

42013-20-7   
2-<i>o</i>-tolyl-4<i>H</i>-oxazol-5-one 

[1]JournaloftheChemicalSociety.PerkintransactionsI,1978,p.1588-1594

[2]RecueildesTravauxChimiquesdesPays-Bas,1969,vol.88,p.209-219

Literature

Title: Uremic toxins inhibit transport by breast cancer resistance protein and multidrug resistance protein 4 at clinically relevant concentrations.

Journal: PloS one 20110101

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Biochemical characterization of bovine plasma thrombin-activatable fibrinolysis inhibitor (TAFI).

Journal: BMC biochemistry 20090101

Title: Substituted hippurates and hippurate analogs as substrates and inhibitors of peptidylglycine alpha-hydroxylating monooxygenase (PHM).

Journal: Bioorganic & medicinal chemistry 20081201

Title: Clinical applications of urinary organic acids. Part I: Detoxification markers.

Journal: Alternative medicine review : a journal of clinical therapeutic 20080901

Title: [DNA damage assessment and biological monitoring of occupational exposure to organic solvents, 2006].

Journal: Biomedica : revista del Instituto Nacional de Salud 20080301

Title: Quantification of urinary zwitterionic organic acids using weak-anion exchange chromatography with tandem MS detection.

Journal: Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20070401

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: Influence of sodium benzoate on the metabolism of o-xylene in the rat.

Journal: Xenobiotica; the fate of foreign compounds in biological systems 20050501

Title: Modified method for determination of hippuric acid and methylhippuric acid in urine by gas chromatography.

Journal: Journal of chromatography. B, Biomedical sciences and applications 20010210

Title: Remane D, et al. Validation of a multi-analyte HPLC-DAD method for determination of uric acid, creatinine, homovanillic acid, niacinamide, hippuric acid, indole-3-acetic acid and 2-methylhippuric acid in human urine. J Chromatogr B Analyt Technol Biomed Life Sci. 2015 Aug 15;998-999:40-4.

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