{[(Benzylamino)carbonyl]amino}acetic acid

Base Information

• Chemical Name: {[(Benzylamino)carbonyl]amino}acetic acid
• CAS No.: 34582-41-7
• Molecular Formula: C10H12 N2 O3
• Molecular Weight: 208.217
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID30429321
• Nikkaji Number: J2.073.596A
• Wikidata: Q82242324
• Mol file: 34582-41-7.mol

Synonyms:34582-41-7;{[(benzylamino)carbonyl]amino}acetic acid;2-[(benzylcarbamoyl)amino]acetic acid;2-(benzylcarbamoylamino)acetic Acid;2-(3-Benzylureido)acetic acid;3-Benzylureidoacetic acid;N-(Benzylcarbamoyl)glycine;2-(3-Benzylureido)aceticacid;SCHEMBL7393991;DTXSID30429321;AKOS000200219;SB77547;CS-0241861;EN300-23951;J-019661

Chemical Property of {[(Benzylamino)carbonyl]amino}acetic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.568
• Boiling Point: 508.5°Cat760mmHg
• Flash Point: 261.4°C
• PSA: 81.92000
• Density: 1.264g/cm³
• LogP: 1.16570
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 208.08479225
• Heavy Atom Count: 15
• Complexity: 225

Purity/Quality:

97% ^*data from raw suppliers

2-[(benzylcarbamoyl)amino]aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNC(=O)NCC(=O)O

Technology Process of {[(Benzylamino)carbonyl]amino}acetic acid

There total 5 articles about {[(Benzylamino)carbonyl]amino}acetic 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: 57.0%

3-benzyl-2,4-dioxoimidazolidine-1-carboxamide → 2-[(benzylcarbamoyl)amino]acetic acid (34582-41-7)

Guidance literature:

With ammonium hydroxide; at 90 ℃; for 2h; High pressure;

DOI:10.1134/S107042802012012X

Reference yield:

C13H12N2O5 (1086764-74-0) → 2-[(benzylcarbamoyl)amino]acetic acid (34582-41-7)

Guidance literature:

With sodium hydroxide; water; In N,N-dimethyl-formamide; at 60 ℃; for 8h; Sonication; Large scale reaction;

DOI:10.1055/s-2008-1078017

Reference yield:

benzyl chloride (100-44-7) → 2-[(benzylcarbamoyl)amino]acetic acid (34582-41-7)

Guidance literature:

Multi-step reaction with 2 steps

1: N,N-dimethyl-formamide / 16 h / 70 °C

2: ammonium hydroxide / 2 h / 90 °C / High pressure

With ammonium hydroxide; In N,N-dimethyl-formamide;

DOI:10.1134/S107042802012012X

upstream raw materials:

1,3-oxazolidine-2,5-dione

N-benzyl(trimethylsilyl)amine

benzylamine

C₁₃H₁₂N₂O₅