N-Methylhippuric acid

Base Information

• Chemical Name: N-Methylhippuric acid
• CAS No.: 2568-34-5
• Molecular Formula: C10H11 N O3
• Molecular Weight: 193.202
• Hs Code.: 2924299090
• European Community (EC) Number: 651-841-0
• NSC Number: 122438
• DSSTox Substance ID: DTXSID8062527
• Nikkaji Number: J420.298H
• Wikidata: Q81990087
• ChEMBL ID: CHEMBL66391
• Mol file: 2568-34-5.mol

Synonyms:N-methylhippuric acid

Chemical Property of N-Methylhippuric acid

Chemical Property:

• Vapor Pressure: 6.3E-07mmHg at 25°C
• Melting Point: 101-105oC
• Refractive Index: 1.5300 (estimate)
• Boiling Point: 394.4°C at 760 mmHg
• PKA: 3.73±0.10(Predicted)
• Flash Point: 192.3°C
• PSA: 57.61000
• Density: 1.2307 (rough estimate)
• LogP: 0.84320
• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 193.07389321
• Heavy Atom Count: 14
• Complexity: 221

Purity/Quality:

97% ^*data from raw suppliers

(BENZOYL-METHYL-AMINO)-ACETIC ACID Aldrich ^*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

Useful:

• Canonical SMILES: CN(CC(=O)O)C(=O)C1=CC=CC=C1

Technology Process of N-Methylhippuric acid

There total 5 articles about N-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: 16.0%

sarcosine (107-97-1,25951-24-0) + benzoyl chloride (98-88-4) → N-benzoyl-N-methylglycine (2568-34-5)

Guidance literature:

With sodium hydroxide; In water; for 0.5h; Ambient temperature;

DOI:10.1021/jm00111a030

Reference yield:

→ N-benzoyl-N-methylglycine (2568-34-5)

Guidance literature:

With potassium hydroxide;

Reference yield:

sarcosine (107-97-1,25951-24-0) → N-benzoyl-N-methylglycine (2568-34-5)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

sarcosine

benzoyl chloride

benzoic acid anhydride

Downstream raw materials:

α-(benzoyl-methyl-amino)-trans-cinnamic acid

α-(benzoyl-methyl-amino)-cinnamic acid

6-(4-chloro-benzoyl)-7-methyl-1-phenyl-2-oxa-6,7-diaza-bicyclo[2.2.1]heptane-3,5-dione

(+/-)-O-N-Methyl-hippuryl-2-hydroxy-buttersaeure