2-[(4-bromobenzoyl)amino]acetic Acid

Base Information

• Chemical Name: 2-[(4-bromobenzoyl)amino]acetic Acid
• CAS No.: 18815-75-3
• Molecular Formula: C9H8 Br N O3
• Molecular Weight: 258.071
• Hs Code.: 2924299090
• European Community (EC) Number: 857-310-1
• ChEMBL ID: CHEMBL450762
• Mol file: 18815-75-3.mol

Synonyms:18815-75-3;2-[(4-bromobenzoyl)amino]acetic Acid;(4-Bromo-benzoylamino)-acetic acid;Glycine, N-(4-bromobenzoyl)-;2-[(4-bromophenyl)formamido]acetic acid;2-(4-Bromobenzamido)acetic acid;N-[(4-bromophenyl)carbonyl]glycine;4-Bromohippuric acid;Glycine,N-(4-bromobenzoyl)-;p-Bromhippursaure;Oprea1_497659;Oprea1_740413;CHEMBL450762;SCHEMBL8907760;2-(4-Bromobenzamido)aceticacid;(4-bromobenzoylamino)acetic acid;BBL036193;STL483028;AKOS000114576;CCG-236892;VS-13361;CS-0218109;EU-0067622;[(4-BROMOPHENYL)FORMAMIDO]ACETIC ACID;2-[(4-bromophenyl)carbonylamino]ethanoic acid;EN300-00154;2-[[(4-bromophenyl)-oxomethyl]amino]acetic acid;A813307;SR-01000395494;SR-01000395494-1;Z56827662

Chemical Property of 2-[(4-bromobenzoyl)amino]acetic Acid

Chemical Property:

• Vapor Pressure: 9.06E-10mmHg at 25°C
• Boiling Point: 473.4°Cat760mmHg
• Flash Point: 240.1°C
• PSA: 69.23000
• Density: 1.642g/cm³
• LogP: 0.31970
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 256.96876
• Heavy Atom Count: 14
• Complexity: 224

Purity/Quality:

98%Min ^*data from raw suppliers

(4-Bromobenzoylamiino)aceticacid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)NCC(=O)O)Br

Technology Process of 2-[(4-bromobenzoyl)amino]acetic Acid

There total 8 articles about 2-[(4-bromobenzoyl)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: 96.89%

glycine (56-40-6,18875-39-3,25718-94-9) + 4-chlorobenzoyl chloride (586-75-4) → N-(4-bromobenzyl-1-carbonyl)-glycine (18815-75-3)

Guidance literature:

With alkaline hydroxide; at 0 ℃; for 0.5h;

DOI:10.1016/j.bioorg.2019.01.014

Reference yield: 85.0%

N-(4-bromobenzyl-1-carbonyl)-glycine methyl ester (138119-50-3) → N-(4-bromobenzyl-1-carbonyl)-glycine (18815-75-3)

Guidance literature:

With potassium hydroxide; In methanol; water; for 3h;

DOI:10.1021/ol0160452

Reference yield: 70.0%

2-aminoethanoic acid hydrochloride (6000-43-7) + 4-chlorobenzoyl chloride (586-75-4) → N-(4-bromobenzyl-1-carbonyl)-glycine (18815-75-3)

Guidance literature:

With sodium hydroxide; at 20 ℃;

upstream raw materials:

4-bromo-N-(cyanomethyl)benzamide

glycine

4-chlorobenzoyl chloride

N-(4-bromo-benzoyl)-glycyl azide

Downstream raw materials:

2-(4-bromophenyl)-4-<(Z)-1-ethoxyethylidene>-5-oxazolone

(Z)-4-benzylidene-2-(4-bromophenyl)oxazol-5(4H)-one