2,3-Dichloro-4-methoxybenzenethiol

Base Information

• Chemical Name: 2,3-Dichloro-4-methoxybenzenethiol
• CAS No.: 83119-51-1
• Molecular Formula: C7H6Cl2OS
• Molecular Weight: 209.096
• DSSTox Substance ID: DTXSID00579347
• Wikidata: Q82469839

Synonyms:2,3-dichloro-4-methoxybenzenethiol;83119-51-1;SCHEMBL10726742;DTXSID00579347;2,3-dichloro-4-methoxythiophenol;YDSLCJAIZJHFTI-UHFFFAOYSA-N;2,3-dichloro-4-methoxy-thiophenol;2,3-Dichloro-4-methoxybenzene-1-thiol

Chemical Property of 2,3-Dichloro-4-methoxybenzenethiol

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 207.9516414
• Heavy Atom Count: 11
• Complexity: 134

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C(=C(C=C1)S)Cl)Cl

Technology Process of 2,3-Dichloro-4-methoxybenzenethiol

There total 2 articles about 2,3-Dichloro-4-methoxybenzenethiol 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: 88.0%

2,3-dichloro-4-methoxybenzenesulfonyl chloride (35509-60-5) → 2,3-dichloro-4-methoxythiophenol (83119-51-1)

Guidance literature:

With sulfuric acid; zinc; In water; for 16h; Heating;

DOI:10.1002/jhet.5570200406

Reference yield:

2,3-dichloroanisole (1984-59-4) → 2,3-dichloro-4-methoxythiophenol (83119-51-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 83 percent / chlorosulfonic acid / 1 h / Ambient temperature

2: 88 percent / conc. sulfuric acid, zinc dust / H₂O / 16 h / Heating

With chlorosulfonic acid; sulfuric acid; zinc; In water;

DOI:10.1002/jhet.5570200406

Reference yield: 99.5%

2,3-dichloro-4-methoxythiophenol (83119-51-1) + chloroacetic acid (79-11-8) → <(2,3-dichloro-4-methoxyphenyl)thio>acetic acid (83119-48-6)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; for 0.5h;

DOI:10.1021/jm00395a020

upstream raw materials:

2,3-dichloro-4-methoxybenzenesulfonyl chloride

2,3-dichloroanisole

Downstream raw materials:

2-[(2,3-dichloro-4-methoxy)phenylthio]cyclopentanone

α-(2,3-dichloro-4-methoxy)phenylthio-n-valeric acid

α-(2,3-dichloro-4-methoxyphenylthio)isovaleric acid

α-(2,3-dichloro-4-methoxyphenylthio)butyric acid

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