3-Bromo-6-methoxy-2-methylbenzoic acid

Base Information

• Chemical Name: 3-Bromo-6-methoxy-2-methylbenzoic acid
• CAS No.: 220901-25-7
• Molecular Formula: C9H9BrO3
• Molecular Weight: 245.073
• UNII: EB2BC5D9TY
• DSSTox Substance ID: DTXSID10904722
• Wikidata: Q27277084
• Mol file: 220901-25-7.mol

Synonyms:3-bromo-6-methoxy-2-methylbenzoic acid;220901-25-7;EB2BC5D9TY;Benzoic acid, 3-bromo-6-methoxy-2-methyl-;2-Methyl-3-bromo-6-methoxybenzoic acid;5-bromo-2-methoxy-6-methylbenzoic acid;UNII-EB2BC5D9TY;SCHEMBL5609906;DTXSID10904722;PZXLGCIJEFUSLH-UHFFFAOYSA-N;3-bromo-6-methoxy-2-methylbenzoicacid;AKOS004907969;5-Bromo-6-methyl-2-methoxybenzoic acid;CS-0236884;EN300-174698;F70159;Q27277084

Chemical Property of 3-Bromo-6-methoxy-2-methylbenzoic acid

Chemical Property:

• Vapor Pressure: 1.97E-05mmHg at 25°C
• Melting Point: 162 - 163 °C (petroleum ether)
• PSA: 46.53000
• 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:

99% ^*data from raw suppliers

3-Bromo-6-methoxy-2-methylbenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1C(=O)O)OC)Br

Technology Process of 3-Bromo-6-methoxy-2-methylbenzoic acid

There total 1 articles about 3-Bromo-6-methoxy-2-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: 95.0%

2-methoxy-6-methyl-benzoic acid (6161-65-5) → 3-bromo-6-methoxy-2-methylbenzoic acid (220901-25-7)

Guidance literature:

2-methoxy-6-methyl-benzoic acid; With bromine; In chlorobenzene; at 15 ℃; for 3h;

at 35 ℃; for 2h;

Reference yield: 99.5%

3-bromo-6-methoxy-2-methylbenzoic acid (220901-25-7) → 5-bromo-2-methoxy-6-methyl-benzoic acid chloride (712273-62-6)

Guidance literature:

With thionyl chloride; In DMF (N,N-dimethyl-formamide); chlorobenzene; at 50 ℃; for 3h;

Reference yield: 54.0%

3,4,5-trimethoxytoluene (6443-69-2) + 3-bromo-6-methoxy-2-methylbenzoic acid (220901-25-7) → metrafenone (220899-03-6)

Guidance literature:

With phosphorus pentoxide; In dichloromethane; at 20 - 25 ℃; for 16h;

upstream raw materials:

2-methoxy-6-methyl-benzoic acid

Downstream raw materials:

5-bromo-2-methoxy-6-methyl-benzoic acid chloride

metrafenone