2-Bromo-3,4-dimethoxybenzoic acid

Base Information

• Chemical Name: 2-Bromo-3,4-dimethoxybenzoic acid
• CAS No.: 71568-87-1
• Molecular Formula: C9H9BrO4
• Molecular Weight: 261.072
• DSSTox Substance ID: DTXSID70557571
• Wikidata: Q82439520
• Mol file: 71568-87-1.mol

Synonyms:2-bromo-3,4-dimethoxybenzoic acid;71568-87-1;Benzoic acid, 2-bromo-3,4-dimethoxy-;SCHEMBL2337418;DTXSID70557571;2-bromo-3,4-dimethoxybenzoicacid;MFCD21340340;AKOS022665858;BS-17503;CS-0150638;D71118;EN300-1915197

Chemical Property of 2-Bromo-3,4-dimethoxybenzoic acid

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 259.96842
• Heavy Atom Count: 14
• Complexity: 209

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C(C=C1)C(=O)O)Br)OC

Technology Process of 2-Bromo-3,4-dimethoxybenzoic acid

There total 20 articles about 2-Bromo-3,4-dimethoxybenzoic 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: 81.0%

(2-bromo-3,4-dimethoxy-phenyl)-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquinolin-1-yl)-methanone (247579-47-1) → 6,7-dimethoxy-N-methyl-2H-3,4-dihydroisoquinolin-1-one (6514-05-2) + 2-bromo-3,4-dimethoxybenzoic acid (71568-87-1)

Guidance literature:

With oxygen; In methanol; for 1h;

DOI:10.1021/jo982451w

Reference yield: 76.0%

2-bromo-3,4-dimethoxybenzylaldehyde (55171-60-3) → 2-bromo-3,4-dimethoxybenzoic acid (71568-87-1)

Guidance literature:

With jones reagent; In acetone; at 20 ℃; for 1.33333h;

DOI:10.1021/jo982451w

Reference yield: 47.0%

Veratric acid (93-07-2) → 2-bromo-3,4-dimethoxybenzoic acid (71568-87-1)

Guidance literature:

Veratric acid; With n-butyllithium; 2,2,6,6-tetramethylpiperidinyl-lithium; In tetrahydrofuran; hexane; at -78 - 0 ℃;

With 1,2-dibromo-1,1,2,2-tetrachloroethane; In tetrahydrofuran; hexane; for 1h; Further stages.; Heating;

DOI:10.1016/j.tet.2008.08.086

upstream raw materials:

2-bromo-3,4-dimethoxybenzylaldehyde

3,4-dimethoxyanthranilic acid

5-amino-2-bromo-3,4-dimethoxy-benzoic acid

ethanol

Downstream raw materials:

methyl 2-bromo-3,4-dimetoxybenzoate

2-bromo-3,4-dihydroxy-benzoic acid

3,4-dimethoxy-2-phenylsulfanyl-benzoic acid

benzyl 2-bromo-3,4-dimethoxybenzoate