2-[(4-Chloro-3-methoxyphenyl)sulfanyl]benzoic acid

Base Information

• Chemical Name: 2-[(4-Chloro-3-methoxyphenyl)sulfanyl]benzoic acid
• CAS No.: 61150-49-0
• Molecular Formula: C₁₄H₁₁ClO₃S
• Molecular Weight: 294.759
• DSSTox Substance ID: DTXSID20495010
• Wikidata: Q82342836
• Mol file: 61150-49-0.mol

Synonyms:61150-49-0;2-[(4-Chloro-3-methoxyphenyl)sulfanyl]benzoic acid;SCHEMBL8533409;DTXSID20495010

Chemical Property of 2-[(4-Chloro-3-methoxyphenyl)sulfanyl]benzoic acid

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 294.0117431
• Heavy Atom Count: 19
• Complexity: 313

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)SC2=CC=CC=C2C(=O)O)Cl

Technology Process of 2-[(4-Chloro-3-methoxyphenyl)sulfanyl]benzoic acid

There total 3 articles about 2-[(4-Chloro-3-methoxyphenyl)sulfanyl]benzoic 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:

bromo-(4-chloro-3-methoxy-phenyl)magnesium → 2-(4-chloro-3-methoxyphenylthio)benzoic acid (61150-49-0)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfur

2: aq. KOH, Cu

With potassium hydroxide; copper; sulfur;

DOI:10.1135/cccc19771705

Reference yield:

2-Iodobenzoic acid (88-67-5) + 4-chloro-3-methoxybenzenethiol (61150-48-9) → 2-(4-chloro-3-methoxyphenylthio)benzoic acid (61150-49-0)

Guidance literature:

With potassium hydroxide; copper;

DOI:10.1135/cccc19771705

Reference yield:

→ 2-(4-chloro-3-methoxyphenylthio)benzoic acid (61150-49-0)

Guidance literature:

2-Jodbenzoesaeure, Entspr. RSH;

upstream raw materials:

2-Iodobenzoic acid

4-chloro-3-methoxybenzenethiol

Downstream raw materials:

2-(4-chloro-3-methoxyphenylthio)phenylacetic acid

2-(4-chloro-3-methoxyphenylthio)phenylacetonitrile

2-(4-chloro-3-methoxyphenylthio)benzyl chloride