2-Bromo-5-methoxy-4-methylbenzoic acid

Base Information

• Chemical Name: 2-Bromo-5-methoxy-4-methylbenzoic acid
• CAS No.: 61809-40-3
• Molecular Formula: C9H9 Br O3
• Molecular Weight: 245.073
• Hs Code.: 2918990090
• European Community (EC) Number: 692-621-4
• NSC Number: 157023
• DSSTox Substance ID: DTXSID50303159
• Wikidata: Q82048310
• Mol file: 61809-40-3.mol

Synonyms:2-bromo-5-methoxy-4-methylbenzoic acid;61809-40-3;NSC157023;SCHEMBL12937550;DTXSID50303159;BFPGCWOVXJFKPY-UHFFFAOYSA-N;AMY19554;MFCD20921580;2-bromo-5-methoxy-4-methylbenzoicacid;AKOS015991487;KF-0071;NSC-157023;CS-0209350;FT-0684578;EN300-8199635;A1-00462;J-508389;Z1486016129

Chemical Property of 2-Bromo-5-methoxy-4-methylbenzoic acid

Chemical Property:

• Vapor Pressure: 1.37E-05mmHg at 25°C
• Boiling Point: 353°Cat760mmHg
• Flash Point: 167.3°C
• PSA: 46.53000
• Density: 1.546g/cm³
• LogP: 2.46430
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 243.97351
• Heavy Atom Count: 13
• Complexity: 195

Purity/Quality:

98%min ^*data from raw suppliers

2-Bromo-5-methoxy-4-methylbenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1OC)C(=O)O)Br

Technology Process of 2-Bromo-5-methoxy-4-methylbenzoic acid

There total 2 articles about 2-Bromo-5-methoxy-4-methylbenzoic 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: 100.0%

3-methoxy-p-toluic acid (7151-68-0) → 2-bromo-5-methoxy-4-methyl-benzoic acid (61809-40-3)

Guidance literature:

With bromine; In water; acetic acid; at 60 ℃; for 2h;

DOI:10.1016/j.tetlet.2008.12.099

Reference yield:

→ 2-bromo-5-methoxy-4-methyl-benzoic acid (61809-40-3)

Guidance literature:

Benzaldehyd 5, KMnO4, Oxid.;

Reference yield: 89.0%

methanol (67-56-1) + 2-bromo-5-methoxy-4-methyl-benzoic acid (61809-40-3) → 2-bromo-5-methoxy-4-methyl-benzoic acid methyl ester (87808-28-4)

Guidance literature:

With sulfuric acid; Reflux;

DOI:10.1016/j.tetlet.2008.12.099

upstream raw materials:

3-methoxy-p-toluic acid

Downstream raw materials:

2-bromo-5-methoxy-4-methyl-benzoic acid methyl ester

(5-methoxy-4-methyl-2-pyrimidin-2-ylphenyl)-{(S)-2-[3-(2-trifluoromethoxyphenyl)-[1,2,4]oxadiazol-5-yl]pyrrolidin-1-yl}methanone

methyl 5-methoxy-4-methyl-2-(pyrimidin-2-yl)benzoate

5-methoxy-4-methyl-2-pyrimidin-2-ylbenzoic acid hydrochloride