2-Amino-4,6-dibromobenzoic acid

Base Information

• Chemical Name: 2-Amino-4,6-dibromobenzoic acid
• CAS No.: 81190-68-3
• Molecular Formula: C7H5 Br2 N O2
• Molecular Weight: 294.92800
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID50511939
• Wikidata: Q82370979
• Mol file: 81190-68-3.mol

Synonyms:2-Amino-4,6-dibromobenzoic acid;81190-68-3;2-amino-4,6-dibromo-benzoic acid;MFCD12828239;Benzoic acid, 2-amino-4,6-dibromo-;2-AMINO-4,6-DIBROMOBENZOICACID;SCHEMBL3857062;DTXSID50511939;YGDDOHCJERWFJO-UHFFFAOYSA-N;AMY26898;AKOS015854809;CS-W006641;2-Amino-4 pound not6-dibromobenzoic acid;DS-13706;SY047652;FT-0730207;J-507821

Chemical Property of 2-Amino-4,6-dibromobenzoic acid

Chemical Property:

• Vapor Pressure: 1.67E-06mmHg at 25°C
• Melting Point: 170-171 °C (decomp)
• Boiling Point: 381.6oC at 760 mmHg
• PKA: 3.36±0.10(Predicted)
• Flash Point: 184.6oC
• PSA: 63.32000
• Density: 2.158g/cm3
• LogP: 3.07320
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 294.86665
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

98% ^*data from raw suppliers

2-Amino-4,6-dibromobenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1N)C(=O)O)Br)Br

Technology Process of 2-Amino-4,6-dibromobenzoic acid

There total 4 articles about 2-Amino-4,6-dibromobenzoic 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:

4,6-dibromoindoline-2,3-dione (187326-67-6) → 2-amino-4,6-dibromobenzoic acid (81190-68-3)

Guidance literature:

DOI:10.1021/jo01135a015

Reference yield:

anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → 2-amino-4,6-dibromobenzoic acid (81190-68-3)

Guidance literature:

With bromine; acetic acid; at 20 ℃; for 5h;

DOI:10.1016/j.ejmech.2021.113609

Reference yield:

3,5-dibromoaniline (626-40-4) → 2-amino-4,6-dibromobenzoic acid (81190-68-3)

Guidance literature:

Multi-step reaction with 3 steps

1: NH₂OH

2: sulfuric acid

With sulfuric acid; hydroxylamine;

DOI:10.1021/jo01135a015

upstream raw materials:

4,6-dibromoindoline-2,3-dione

3,5-dibromoaniline

anthranilic acid

Downstream raw materials:

3-benzyl-6,8-dibromo-2-thioxo-2,3-dihydro-1H-quinazolin-4-one

3-amino-6,8-dibromo-2-methyl-1,3,4(3H)-quinazolinone

6,8-Dibromo-2-methyl-1,3-4(3H)-quinazolinone

6,8-dibromo-2-methyl-3,1-benzoxazin-4(H)-one

Refernces

• 1、 Seong, Churl Min,Park, Woo Kyu,Park, Chul Min,Kong, Jae Yang,Park, No Sang. "Discovery of 3-aryl-3-methyl-1H-quinoline-2,4-diones as a new class of selective 5-HT6 receptor antagonists". . p. 738 - 743. Retrieved 2008/12/23.