Home Other Building Blocks 27115-49-7
27115-49-7,MFCD00044399
Catalog No.:AA003JOP

27115-49-7 | 3-Methylhippuric acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$12.00   $8.00
- +
5g
98%
in stock  
$29.00   $21.00
- +
100g
98%
in stock  
$502.00   $352.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003JOP
Chemical Name:
3-Methylhippuric acid
CAS Number:
27115-49-7
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
MDL Number:
MFCD00044399
SMILES:
OC(=O)CNC(=O)c1cccc(c1)C
NSC Number:
201735
Properties
Properties
 
BP:
418.5°C at 760 mmHg  
Form:
Solid  
MP:
138-140 °C(lit.)  
Refractive Index:
1.5300 (estimate)  
Storage:
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:
1.6  

Downstream Synthesis Route

[1]CurrentPatentAssignee:MEMORIALSLOAN-KETTERINGCANCERCENTER;ST.JUDECHILDRENSRESEARCHHOSPITAL-WO2017/49295,2017,A1Locationinpatent:Paragraph00475

[2]Gleditsch;Moeller[JustusLiebigsAnnalenderChemie,1889,vol.250,p.378]

[3]Hirota,Kazuhiro;Ikeda,Mikiko[Chemicalandpharmaceuticalbulletin,1984,vol.32,#8,p.3100-3104]

[4]Glase;Akunne;Georgic;Heffner;MacKenzie;Manley;Pugsley;Wise[JournalofMedicinalChemistry,1997,vol.40,#12,p.1771-1772]

[5]Locationinpatent:experimentalpartJin,Can;Chen,Jun;Su,Weike[Heterocycles,2011,vol.83,#1,p.153-161]

[6]Min,Ma;Xingjun,Jiang;Xueding,Wang;Hao,Zou;Weiqing,Yang;Yuanyuan,Zhang;Changrong,Peng;Zicheng,Li;Jing,Yang;Quan,Du;Menglin,Ma[ChemicalBiologyandDrugDesign,2016,p.451-459]

[7]Gu,Xiaoke;Zhang,Yinpeng;Zou,Yueting;Li,Xin;Guan,Mingyu;Zhou,Qingqing;Qiu,Jingying[BioorganicandMedicinalChemistry,2021,vol.29]

[8]Kim,HoShin;Hammill,JaredT.;Scott,DanielC.;Chen,Yizhe;Rice,AmyL.;Pistel,William;Singh,Bhuvanesh;Schulman,BrendaA.;Guy,R.Kiplin[JournalofMedicinalChemistry,2021,vol.64,#9,p.5850-5862]

27115-49-7   
2-<i>m</i>-tolyl-4<i>H</i>-oxazol-5-one 

[1]Tan,H.S.etal.[RecueildesTravauxChimiquesdesPays-Bas,1969,vol.88,#2,p.209-219]

[2]Kim,HoShin;Hammill,JaredT.;Scott,DanielC.;Chen,Yizhe;Rice,AmyL.;Pistel,William;Singh,Bhuvanesh;Schulman,BrendaA.;Guy,R.Kiplin[JournalofMedicinalChemistry,2021,vol.64,#9,p.5850-5862]

[1]Islam,A.M.etal.[AustralianJournalofChemistry,1973,vol.26,p.1701-1704]

[1]Islam,A.M.etal.[AustralianJournalofChemistry,1973,vol.26,p.1701-1704]

[2]Min,Ma;Xingjun,Jiang;Xueding,Wang;Hao,Zou;Weiqing,Yang;Yuanyuan,Zhang;Changrong,Peng;Zicheng,Li;Jing,Yang;Quan,Du;Menglin,Ma[ChemicalBiologyandDrugDesign,2016,p.451-459]

[3]Gu,Xiaoke;Zhang,Yinpeng;Zou,Yueting;Li,Xin;Guan,Mingyu;Zhou,Qingqing;Qiu,Jingying[BioorganicandMedicinalChemistry,2021,vol.29]

[1]Islam,A.M.etal.[AustralianJournalofChemistry,1973,vol.26,p.1701-1704]

Literature

Title: Reconstruction of Exposure to m-Xylene from Human Biomonitoring Data Using PBPK Modelling, Bayesian Inference, and Markov Chain Monte Carlo Simulation.

Journal: Journal of toxicology 20120101

Title: A Workflow for Global Sensitivity Analysis of PBPK Models.

Journal: Frontiers in pharmacology 20110101

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

Journal: Bioorganic & medicinal chemistry 20081201

Title: Sex differences in the toxicokinetics of inhaled solvent vaporsin humans 1. m-Xylene.

Journal: Toxicology and applied pharmacology 20031201

Title: Event-related potentials in medical workers with long-term exposure to xylene.

Journal: Collegium antropologicum 20010601

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

Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Country:
Additional Info:
SDS
Tags:27115-49-7 Molecular Formula|27115-49-7 MDL|27115-49-7 SMILES|27115-49-7 3-Methylhippuric acid