5-Bromo-2-hydroxy-3-methoxybenzoic acid

Base Information

• Chemical Name: 5-Bromo-2-hydroxy-3-methoxybenzoic acid
• CAS No.: 35090-76-7
• Molecular Formula: C8H7 Br O4
• Molecular Weight: 247.045
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID10544642
• Wikidata: Q82421828
• Mol file: 35090-76-7.mol

Synonyms:5-BROMO-2-HYDROXY-3-METHOXYBENZOIC ACID;35090-76-7;5-bromo-3-methoxysalicylic acid;MFCD02258870;5-Bromo-2-hydroxy-3-methoxybenzoicacid;5-bromo-2-hydroxy-3-methoxy-benzoic acid;Benzoic acid,5-bromo-2-hydroxy-3-methoxy-;Benzoic acid, 5-bromo-2-hydroxy-3-methoxy-;SCHEMBL1894382;DTXSID10544642;VQCPZBYERTTWDS-UHFFFAOYSA-N;AKOS005151395;AS-64150;SY093337;CS-0047225;EN300-116845;W11122

Chemical Property of 5-Bromo-2-hydroxy-3-methoxybenzoic acid

Chemical Property:

• PSA: 66.76000
• LogP: 1.86150
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 245.95277
• Heavy Atom Count: 13
• Complexity: 197

Purity/Quality:

99% ^*data from raw suppliers

5-Bromo-2-hydroxy-3-methoxybenzoic acid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1O)C(=O)O)Br

Technology Process of 5-Bromo-2-hydroxy-3-methoxybenzoic acid

There total 2 articles about 5-Bromo-2-hydroxy-3-methoxybenzoic 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: 70.0%

5-bromo-3-methoxysalicylaldehyde (5034-74-2) → 5-bromo-2-hydroxy-3-methoxy-benzoic acid (35090-76-7)

Guidance literature:

With sodium hypochlorite; aminosulfonic acid; In tetrahydrofuran; water; at 20 ℃; for 3h;

Reference yield:

3-methoxysalicylic acid (877-22-5) → 5-bromo-2-hydroxy-3-methoxy-benzoic acid (35090-76-7)

Guidance literature:

With pyridine; bromine; In chloroform; for 1h;

Reference yield: 94.0%

methanol (67-56-1) + 5-bromo-2-hydroxy-3-methoxy-benzoic acid (35090-76-7) → 5-bromo-2-hydroxy-3-methoxy-benzoic acid methyl ester (134419-43-5)

Guidance literature:

With sulfuric acid; for 18h; Heating;

DOI:10.1021/jm0614883

upstream raw materials:

5-bromo-3-methoxysalicylaldehyde

3-methoxysalicylic acid

Downstream raw materials:

5-Bromo-2-hydroxy-3-methoxy-N-(1H-tetrazol-5-yl)-benzamide

(-)-(S)-5-bromo-N-<(1-ethyl-2-pyrrolidinyl)methyl>-2-hydroxy-3-methoxybenzamide

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

2,3-dihydroxy-5-bromobenzoic acid

Refernces

• 1、 Lu, S.,Adam, M. J.,Lu, J.,Ruth, T. J.. "Simplified Synthesis of Desmethyl-FLB 457 in two Steps". . p. S234 - S234. Retrieved 2007/10/03.