4,6-Dibromo-3-hydroxyanthranilic acid

Base Information

• Chemical Name: 4,6-Dibromo-3-hydroxyanthranilic acid
• CAS No.: 160911-12-6
• Molecular Formula: C7H5Br2NO3
• Molecular Weight: 310.93
• European Community (EC) Number: 835-960-7
• UNII: V2TJ7QU7MT
• DSSTox Substance ID: DTXSID30432658
• Nikkaji Number: J1.182.618K
• Wikidata: Q82246751
• Mol file: 160911-12-6.mol

Synonyms:4,6-dibromo-3-hydroxyanthranilic acid;NCR 631;NCR-631

Chemical Property of 4,6-Dibromo-3-hydroxyanthranilic acid

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 310.86157
• Heavy Atom Count: 13
• Complexity: 214

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=C(C(=C1Br)O)N)C(=O)O)Br

Technology Process of 4,6-Dibromo-3-hydroxyanthranilic acid

There total 3 articles about 4,6-Dibromo-3-hydroxyanthranilic 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: 63.0%

4,6-dibromo-3-hydroxy-2-nitrobenzoic acid (160911-18-2) → 4,6-dibromo-3-hydroxyanthranilic acid (160911-12-6)

Guidance literature:

With hydrogen; PtS₂; In ethanol; at 20 ℃; for 45h; under 760 Torr;

DOI:10.1016/S0223-5234(99)00220-2

Reference yield:

3-hydroxy-2-nitrobenzoic acid (602-00-6) → 4,6-dibromo-3-hydroxyanthranilic acid (160911-12-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 79 percent / Br₂; NaOAc / acetic acid / 68 h / 60 °C

2: 63 percent / H₂ / PtS₂ / ethanol / 45 h / 20 °C / 760 Torr

With hydrogen; bromine; sodium acetate; PtS₂; In ethanol; acetic acid; 1: Bromination / 2: Catalytic hydrogenation;

DOI:10.1016/S0223-5234(99)00220-2

Reference yield:

PtS2 + pyrographite (7440-44-0) + 4,6-dibromo-3-hydroxy-2-nitrobenzoic acid (160911-18-2) → 4,6-dibromo-3-hydroxyanthranilic acid (160911-12-6)

Guidance literature:

In methanol; ethanol;

upstream raw materials:

4,6-dibromo-3-hydroxy-2-nitrobenzoic acid

3-hydroxy-2-nitrobenzoic acid

pyrographite

Downstream raw materials:

4,6-Dibromo-3-hydroxy-N-(thien-2-yl)methylanthranilic acid

4,6-Dibromo-N-4-(2,4-dimethoxyphenyl)butyl-3-hydroxyanthranilic acid

Refernces

• 1、 -. "NEW COMPOUNDS". . . Retrieved 2008/06/13.