2-Bromo-4-methoxybenzoic acid

Base Information

• Chemical Name: 2-Bromo-4-methoxybenzoic acid
• CAS No.: 74317-85-4
• Molecular Formula: C8H7BrO3
• Molecular Weight: 231.046
• Hs Code.: 2918999090
• European Community (EC) Number: 818-637-5
• DSSTox Substance ID: DTXSID30560869
• Wikidata: Q72446099
• Mol file: 74317-85-4.mol

Synonyms:2-bromo-4-methoxybenzoic acid;74317-85-4;2-Bromo-4-MethoxybenzoicAcid;74517-85-4;2-bromo-p-anisic acid;3-bromo-4-carboxyanisole;MFCD11044843;2-Bromo-4-methoxy-benzoic acid;Benzoicacid, 2-bromo-4-methoxy-;SCHEMBL1180221;2-bromo-4-methoxy benzoic acid;DTXSID30560869;SEJVMKLJNIKFAF-UHFFFAOYSA-N;AKOS008674986;CS-W005678;FS-2232;NCGC00342856-01;SY041362;EN300-62426;AB01334548-02;A865916;AS-813/43501518;J-519757;Z454080610

Chemical Property of 2-Bromo-4-methoxybenzoic acid

Chemical Property:

• Vapor Pressure: 0.000209mmHg at 25°C
• Melting Point: 199℃
• Refractive Index: 1.583
• Boiling Point: 313.6 °C at 760 mmHg
• PKA: 3.12±0.10(Predicted)
• Flash Point: 143.5 °C
• PSA: 46.53000
• Density: 1.625 g/cm³
• LogP: 2.15590
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 229.95786
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

97% ^*data from raw suppliers

2-Bromo-4-methoxybenzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Bromo-4-methoxybenzoic acid

There total 14 articles about 2-Bromo-4-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: 95.0%

(2-bromo-4-methoxyphenyl)phenylmethanone (59142-57-3) → 2-bromo-4-methoxybenzoic acid (74317-85-4)

Guidance literature:

(2-bromo-4-methoxyphenyl)phenylmethanone; With sodium hydroxide; In water; at 0 ℃; for 15h;

With hydrogenchloride; In water;

Reference yield: 92.0%

1-(2-bromo-4-methoxyphenyl)ethanone (89691-67-8) → 2-bromo-4-methoxybenzoic acid (74317-85-4)

Guidance literature:

With sodium hydroxide; bromine; at 35 - 38 ℃; for 24h;

DOI:10.1016/j.tetlet.2007.04.007

Reference yield: 91.4%

4-methoxybenzoic acid (100-09-4) → 2-bromo-4-methoxybenzoic acid (74317-85-4)

Guidance literature:

4-methoxybenzoic acid; With bromine; sodium hydroxide; In water; at 0 - 5 ℃; for 1h;

With hydrogenchloride; sodium sulfite; In water; toluene; at 70 ℃; for 1h;

upstream raw materials:

3-bromo-4-methylanisole

2-bromo-4-methoxybenzaldehyde

2-bromo-4-methoxy benzonitrile

2-bromo-4-hydroxybenzoic acid

Downstream raw materials:

2-bromo-4-hydroxybenzoic acid

2-(3-hydroxyphenylthio)-5-methoxybenzoic acid

2-Brom-4-methoxybenzoesaurechlorid

2-bromo-4-methoxybenzoic acid methyl ester