2-Amino-5-bromo-3-chlorobenzoic acid

Base Information

• Chemical Name: 2-Amino-5-bromo-3-chlorobenzoic acid
• CAS No.: 58026-21-4
• Molecular Formula: C7H5BrClNO2
• Molecular Weight: 250.479
• Hs Code.: 2916399090
• European Community (EC) Number: 816-264-2
• DSSTox Substance ID: DTXSID001290361
• Mol file: 58026-21-4.mol

Synonyms:2-amino-5-bromo-3-chlorobenzoic acid;58026-21-4;2-Amino-5-bromo-3-chloro-benzoic acid;AE-848/30748003;SCHEMBL1571554;DTXSID001290361;2-amino-5-bromo-3-chlorobenzoicacid;2-amino-5-bromo-3chlorobenzoic acid;MFCD00839522;AKOS000114276;2-Amino-5-bromo-3-chloro-benzoic?acid;AS-41196;BB 0244028;CS-0160013;FT-0723626;EN300-80568;Z362758802

Chemical Property of 2-Amino-5-bromo-3-chlorobenzoic acid

Chemical Property:

• Melting Point: 210 - 211 °C (ethanol)
• Boiling Point: 344.0±42.0 °C(Predicted)
• PKA: 4.18±0.10(Predicted)
• PSA: 63.32000
• Density: 1.892±0.06 g/cm3(Predicted)
• LogP: 2.96410
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 248.91922
• Heavy Atom Count: 12
• Complexity: 190

Purity/Quality:

95% ^*data from raw suppliers

2-Amino-5-bromo-3-chlorobenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1C(=O)O)N)Cl)Br

Technology Process of 2-Amino-5-bromo-3-chlorobenzoic acid

There total 8 articles about 2-Amino-5-bromo-3-chlorobenzoic 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: 100.0%

2-amino-3-chlorobenzoic acid (6388-47-2) → 2-amino-5-bromo-3-chloro-benzoic acid (58026-21-4)

Guidance literature:

With N-Bromosuccinimide; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

Reference yield:

5-bromo-3-chloro-DL-kynurenine → L-alanin (56-41-7,25191-17-7,18875-37-1) + 2-amino-5-bromo-3-chloro-benzoic acid (58026-21-4)

Guidance literature:

With Pseudomonas fluorescens kynureninase; In aq. phosphate buffer; at 37 ℃; pH=8; Kinetics; Enzymatic reaction;

DOI:10.1016/j.bmc.2013.05.039

Reference yield:

3-chloro-DL-kynurenine → 2-amino-5-bromo-3-chloro-benzoic acid (58026-21-4)

Guidance literature:

Multi-step reaction with 2 steps

1: bromine; sodium acetate / acetic acid / 4 h

2: Pseudomonas fluorescens kynureninase / aq. phosphate buffer / 37 °C / pH 8 / Enzymatic reaction

With Pseudomonas fluorescens kynureninase; bromine; sodium acetate; In aq. phosphate buffer; acetic acid;

DOI:10.1016/j.bmc.2013.05.039

upstream raw materials:

5-Bromo-2-aminobenzoic acid

ethyl 7-chloroindole-3-(3-acetamido-3-carboethoxy)butanoate

ethyl 2-acetamido-2-carboethoxy-5-oxo-5-(3-chloro-2-aminophenyl)pentanoate

2-amino-3-chlorobenzoic acid

Downstream raw materials:

(2-amino-5-bromo-3-chlorophenyl)methanol

2-amino-5-bromo-3-chlorobenzaldehyde

6-bromo-8-chloroquinazolin-2-ol

C₁₅H₁₄BrClN₂O₂

Refernces

• 1、 -. "SUBSTITUTED QUINAZOLINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4". Page/Page column 157. . Retrieved 2020/02/16.
• 2、 -. "INHIBITORS OF THE FIBROBLAST GROWTH FACTOR RECEPTOR". Paragraph 0392; 0393; 0394. . Retrieved 2015/05/05.