3-Methylhippuric acid

Base Information

Chemical Name:3-Methylhippuric acid
CAS No.:27115-49-7
Molecular Formula:C10H11NO3
Molecular Weight:193.202
Hs Code.:29225000
European Community (EC) Number:690-389-9
NSC Number:201735
UNII:W60W59C1G5
DSSTox Substance ID:DTXSID90181579
Nikkaji Number:J47.328F
Wikidata:Q22132798
NCI Thesaurus Code:C173423
Metabolomics Workbench ID:42270
ChEMBL ID:CHEMBL456202
Mol file:27115-49-7.mol

Synonyms:3-methylhippuric acid;m-methylhippuric acid;meta-methylhippuric acid

Suppliers and Price of 3-Methylhippuric acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
3-Methyl Hippuric Acid
10mg
$ 403.00

TCI Chemical
N-(m-Toluoyl)glycine >98.0%(T)
25g
$ 183.00

TCI Chemical
N-(m-Toluoyl)glycine >98.0%(T)
5g
$ 64.00

Sigma-Aldrich
3-Methylhippuric acid 98%
1g
$ 35.50

Matrix Scientific
3-Methylhippuric acid 97%
10g
$ 177.00

Matrix Scientific
3-Methylhippuric acid 97%
1g
$ 66.00

Crysdot
2-(3-Methylbenzamido)aceticacid 95+%
500g
$ 911.00

Atlantic Research Chemicals
3-Methylhippuric acid 95%
1gm:
$ 24.74

Apolloscientific
3-Methylhippuric acid 95%
25g
$ 334.00

Apolloscientific
3-Methylhippuric acid 95%
5g
$ 145.00

Total 30 raw suppliers

Chemical Property of 3-Methylhippuric acid

Chemical Property:

Appearance/Colour:White solid.
Vapor Pressure:9.41E-08mmHg at 25°C
Melting Point:138-140 °C
Refractive Index:1.5300 (estimate)
Boiling Point:418.5 °C at 760 mmHg
PKA:3.71±0.10(Predicted)
Flash Point:206.9 °C
PSA：66.40000
Density:1.229 g/cm³
LogP:1.20030
Storage Temp.:Sealed in dry,Room Temperature
Solubility.:DMSO (Slightly), Methanol (Slightly)
XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:193.07389321
Heavy Atom Count:14
Complexity:227

Purity/Quality:

99%, ^*data from raw suppliers

3-Methyl Hippuric Acid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC1=CC(=CC=C1)C(=O)NCC(=O)O
Uses Α substituted hippurate analog as substrates and inhibitor of peptidylglycine α-hydroxylating monooxygenase (PHM). 3-Methylhippuric acid was employed as biological marker in studies on occupational exposure to xylene (solvent).

Technology Process of 3-Methylhippuric acid

There total 3 articles about 3-Methylhippuric acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 88.0%

: 56-40-6,18875-39-3,25718-94-9
glycine

: 1711-06-4
3-Methylbenzoyl chloride

: 27115-49-7
N-(3-Methylbenzoyl)glycine

Guidance literature:: With water; sodium hydroxide; at 0 ℃; for 0.5h;

Reference yield:

: 99-04-7
m-Toluic acid

: 27115-49-7
N-(3-Methylbenzoyl)glycine

Guidance literature:: Multi-step reaction with 2 steps

1: thionyl chloride / 4 h / 80 °C

2: sodium hydroxide / 0.5 h / 0 °C

With thionyl chloride; sodium hydroxide;
DOI:10.1111/cbdd.12774