3-Chloro-2,6-dimethoxy-4-methylbenzoic acid

Base Information

• Chemical Name: 3-Chloro-2,6-dimethoxy-4-methylbenzoic acid
• CAS No.: 89653-72-5
• Molecular Formula: C₁₀H₁₁ClO₄
• Molecular Weight: 230.648
• DSSTox Substance ID: DTXSID80527088
• Wikidata: Q82396215
• Mol file: 89653-72-5.mol

Synonyms:3-Chloro-2,6-dimethoxy-4-methylbenzoic acid;89653-72-5;DTXSID80527088

Chemical Property of 3-Chloro-2,6-dimethoxy-4-methylbenzoic acid

Chemical Property:

• PSA: 55.76000
• LogP: 2.36380
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 230.0345865
• Heavy Atom Count: 15
• Complexity: 234

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1Cl)OC)C(=O)O)OC

Technology Process of 3-Chloro-2,6-dimethoxy-4-methylbenzoic acid

There total 2 articles about 3-Chloro-2,6-dimethoxy-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:

chloroatranol dimethyl ether (251654-48-5) → 3-chloro-2,6-dimethoxy-4-methyl-benzoic acid (89653-72-5)

Guidance literature:

With potassium permanganate; water; potassium carbonate;

DOI:10.1007/BF01518655

Reference yield:

3-chloro-2,6-dihydroxy-4-methylbenzaldehyde (57074-21-2) → 3-chloro-2,6-dimethoxy-4-methyl-benzoic acid (89653-72-5)

Guidance literature:

Multi-step reaction with 2 steps

1: water; aqueous alkaline solution / 40 - 60 °C

2: potassium permanganate; potassium carbonate; water

With potassium permanganate; alkaline solution; water; potassium carbonate;

DOI:10.1007/BF01518655

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + 3-chloro-2,6-dimethoxy-4-methyl-benzoic acid (89653-72-5) → 3-chloro-2,6-dimethoxy-4-methyl-benzoic acid methyl ester

Guidance literature:

With diethyl ether;

DOI:10.1007/BF01518658

upstream raw materials:

chloroatranol dimethyl ether

3-chloro-2,6-dihydroxy-4-methylbenzaldehyde