2-((2-Bromophenyl)amino)acetic acid

Base Information

• Chemical Name: 2-((2-Bromophenyl)amino)acetic acid
• CAS No.: 40789-38-6
• Molecular Formula: C₈H₈BrNO₂
• Molecular Weight: 230.061
• Hs Code.: 2922499990
• NSC Number: 338430
• DSSTox Substance ID: DTXSID20319000
• Wikidata: Q82075194
• Mol file: 40789-38-6.mol

Synonyms:40789-38-6;2-((2-Bromophenyl)amino)acetic acid;(2-Bromo-phenylamino)-acetic acid;2-(2-bromoanilino)acetic acid;(2-bromophenyl)glycine;N-(2-Bromophenyl)-glycine;DL-2-BROMOPHENYLGLYCINE;N-(2-BROMOPHENYL)GLYCINE;2-[(2-bromophenyl)amino]acetic acid;2-((2-Bromophenyl)amino)aceticacid;NSC338430;SCHEMBL158269;(2-bromophenylamino)acetic acid;DTXSID20319000;CL8802;MFCD00029781;AKOS000101389;NSC 338430;NSC-338430;AM100791;AS-46107;CS-0209880;DL-2-Bromophenylglycine (Ph(2-Br)-Gly-OH)

Chemical Property of 2-((2-Bromophenyl)amino)acetic acid

Chemical Property:

• Vapor Pressure: 2.64E-07mmHg at 25°C
• Boiling Point: 405.5°Cat760mmHg
• Flash Point: 199.1°C
• PSA: 49.33000
• Density: 1.689g/cm³
• LogP: 2.01860
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 228.97384
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

98.5% ^*data from raw suppliers

(2-Bromo-phenylamino)-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)NCC(=O)O)Br

Technology Process of 2-((2-Bromophenyl)amino)acetic acid

There total 1 articles about 2-((2-Bromophenyl)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:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + potassium cyanide (151-50-8) + 2-bromoaniline (615-36-1) → N-(2-bromo-phenyl)-glycine (40789-38-6)

Guidance literature:

With potassium carbonate;

Reference yield:

N-(2-bromo-phenyl)-glycine (40789-38-6) → C8H7BrN2O3 (121163-61-9)

Guidance literature:

With isopentyl nitrite; In 1,2-dimethoxyethane; for 44h;

DOI:10.1055/s-1988-27791

Reference yield:

N-(2-bromo-phenyl)-glycine (40789-38-6) → 3-(2-bromophenyl)sydnone (121163-63-1)

Guidance literature:

Multi-step reaction with 2 steps

1: isoamyl nitrite / 1,2-dimethoxy-ethane / 44 h

2: (CF₃CO)2O / CH₂Cl₂ / 10 °C

With trifluoroacetic anhydride; isopentyl nitrite; In 1,2-dimethoxyethane; dichloromethane;

DOI:10.1055/s-1988-27791

upstream raw materials:

formaldehyd

potassium cyanide

2-bromoaniline

Downstream raw materials:

C₈H₇BrN₂O₃

3-(2-bromophenyl)sydnone