2-Bromo-4,5-dimethoxyphenol

Base Information

• Chemical Name: 2-Bromo-4,5-dimethoxyphenol
• CAS No.: 129103-69-1
• Molecular Formula: C8H9BrO3
• Molecular Weight: 233.062
• Hs Code.: 2909500000
• European Community (EC) Number: 834-677-6
• DSSTox Substance ID: DTXSID60682109
• Nikkaji Number: J3.043.716K
• Wikidata: Q82606383
• Mol file: 129103-69-1.mol

Synonyms:2-BROMO-4,5-DIMETHOXYPHENOL;129103-69-1;Phenol, 2-bromo-4,5-dimethoxy-;SCHEMBL13993593;DTXSID60682109;MFCD11110624;AKOS015834846;DS-3366;B5297;CS-0186578;FT-0765414;C72181;F2185-1932

Chemical Property of 2-Bromo-4,5-dimethoxyphenol

Chemical Property:

• Melting Point: 96.0 to 100.0 °C
• PSA: 38.69000
• LogP: 2.17190
• Storage Temp.: Room temperature.
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 231.97351
• Heavy Atom Count: 12
• Complexity: 142

Purity/Quality:

97% ^*data from raw suppliers

2-Bromo-4,5-dimethoxyphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Bromo-4,5-dimethoxyphenol

There total 4 articles about 2-Bromo-4,5-dimethoxyphenol 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: 76.0%

2-bromo-1-tert-butyldimethylsilyloxy-4,5-dimethoxybenzene (521067-39-0) → 2-bromo-4,5-dimethoxyphenol (129103-69-1)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; dichloromethane; at 0 - 20 ℃; for 2.5h; Inert atmosphere;

DOI:10.1021/ol200252c

Reference yield: 72.0%

formic acid 2-bromo-4,5-dimethoxy-phenyl ester → 2-bromo-4,5-dimethoxyphenol (129103-69-1)

Guidance literature:

With methanol; sodium methylate;

DOI:10.1021/ja982078+

Reference yield: 70.0%

3,4-dimethoxyphenol (2033-89-8) → 2-bromo-4,5-dimethoxyphenol (129103-69-1)

Guidance literature:

With N-Bromosuccinimide; chloro-trimethyl-silane; In acetonitrile; at 20 ℃; for 1h; regioselective reaction;

DOI:10.1055/s-0034-1378225

upstream raw materials:

2-bromo-4,5-dimethoxybenzaldehyde

2-bromo-1-tert-butyldimethylsilyloxy-4,5-dimethoxybenzene

3,4-dimethoxyphenol

Downstream raw materials:

2-Fluoro-4,6-dimethoxy-benzoic acid 2-bromo-4,5-dimethoxy-phenyl ester

1-bromo-4,5-dimethoxy-2-(methoxymethoxy)benzene

4,5-dimethoxy-2-trimethylsilylphenol

C₁₁H₁₇BrO₃Si