5-Bromo-2,3-dihydroxybenzoic acid

Base Information

• Chemical Name: 5-Bromo-2,3-dihydroxybenzoic acid
• CAS No.: 72517-15-8
• Molecular Formula: C7H5BrO4
• Molecular Weight: 233.018
• Hs Code.: 2918290000
• DSSTox Substance ID: DTXSID30496159
• Wikidata: Q82344839
• Mol file: 72517-15-8.mol

Synonyms:5-bromo-2,3-dihydroxybenzoic acid;72517-15-8;5-bromo-2,3-dihydroxy-benzoic acid;5-Bromo-2,3-dihydroxybenzoicacid;SCHEMBL8285504;DTXSID30496159;2,3-dihydroxy-5-bromobenzoic acid;MFCD08669420;AKOS005264515;CS-0326538;A935512;A1-01323

Chemical Property of 5-Bromo-2,3-dihydroxybenzoic acid

Chemical Property:

• PSA: 77.76000
• LogP: 1.55850
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 231.93712
• Heavy Atom Count: 12
• Complexity: 184

Purity/Quality:

99% ^*data from raw suppliers

5-Bromo-2,3-dihydroxybenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1C(=O)O)O)O)Br
• Uses: 5-Bromo-2,3-dihydroxy-benzoic acid is used in the preparation of hydroxyalbuterol and bromo-dimethoxyphenyl oxadiazoles with anti-Parkinson’s properties.

Technology Process of 5-Bromo-2,3-dihydroxybenzoic acid

There total 4 articles about 5-Bromo-2,3-dihydroxybenzoic 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: 99.0%

2,3-Dihydroxybenzoic acid (303-38-8) → 2,3-dihydroxy-5-bromobenzoic acid (72517-15-8)

Guidance literature:

With bromine; acetic acid; at 20 ℃; for 24h;

DOI:10.1021/jo3020598

Reference yield: 88.0%

5-bromo-2-hydroxy-3-methoxy-benzoic acid (35090-76-7) → 2,3-dihydroxy-5-bromobenzoic acid (72517-15-8)

Guidance literature:

With boron tribromide; In dichloromethane; at 0 - 20 ℃;

Reference yield:

2,3-Dihydroxybenzoic acid (303-38-8) + bromine (7726-95-6) + acetic acid (64-19-7,77671-22-8) → 2,3-dihydroxy-5-bromobenzoic acid (72517-15-8) + 4,5-dibromo-2,3-dihydroxybenzoic acid (72517-17-0)

Guidance literature:

upstream raw materials:

2,3-Dihydroxybenzoic acid

bromine

acetic acid

5-bromo-2-hydroxy-3-methoxy-benzoic acid

Downstream raw materials:

2,3-Bis-benzyloxy-5-vinyl-benzoic acid methyl ester

methyl 2,3-bis(benzyloxy)-5-bromobenzoate

1-(3,4-Bis-benzyloxy-5-hydroxymethyl-phenyl)-2-tert-butylamino-ethanol

2,3-Bis-benzyloxy-5-(2-tert-butylamino-1-hydroxy-ethyl)-benzoic acid methyl ester

Refernces

• 1、 -. "C-GLUCOSIDE DERIVATIVE CONTAINING FUSED PHENYL RING OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PROCESS FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME". Paragraph 0141. . Retrieved 2018/12/04.
• 2、 Abbiati, Giorgio,Doda, Arjana,Dell'Acqua, Monica,Pirovano, Valentina,Facoetti, Diego,Rizzato, Silvia,Rossi, Elisabetta. "Synthesis of two unnatural oxygenated aaptaminoids". . p. 10461 - 10467. Retrieved 2013/01/15.