4-Chloro-2-methoxythiophenol

Base Information

• Chemical Name: 4-Chloro-2-methoxythiophenol
• CAS No.: 68350-96-9
• Molecular Formula: C7H7ClOS
• Molecular Weight: 174.651
• DSSTox Substance ID: DTXSID30462935
• Wikidata: Q82287584

Synonyms:4-chloro-2-methoxythiophenol;68350-96-9;4-CHLORO-2-METHOXYBENZENE-1-THIOL;SCHEMBL6605422;DTXSID30462935;LYNWIROPIZGVRR-UHFFFAOYSA-N;AKOS005216006;EN300-673751

Chemical Property of 4-Chloro-2-methoxythiophenol

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 173.9906137
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Chloro-2-methoxythiophenol

There total 1 articles about 4-Chloro-2-methoxythiophenol 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:

4-chloro-o-anisidine (93-50-5) → 4-chloro-2-methoxythiophenol (68350-96-9)

Guidance literature:

Multistep reaction; (i) NaNO₂, aq. HCl, (ii) EtOCS₂K, (iii) KOH, EtOH;

DOI:10.1135/cccc19781747

Reference yield: 38.0%

4-chloro-2-methoxythiophenol (68350-96-9) + chloroacetonitrile (107-14-2) → (4-Chloro-2-methoxy-phenylsulfanyl)-acetonitrile (79506-70-0)

Guidance literature:

With sodium methylate; In methanol; 1) r.t., 2 h, 2) 50 deg C, 5 h;

DOI:10.1135/cccc19811188

Reference yield:

4-chloro-2-methoxythiophenol (68350-96-9) + chloroacetone (78-95-5) → 4-chloro-2-methoxythiophenol

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 16h; Inert atmosphere;

upstream raw materials:

4-chloro-o-anisidine

Downstream raw materials:

[2,5-Dichloro-4-(4-chloro-2-methoxy-phenylsulfanylthiocarbonylamino)-phenyl]-dithiocarbamic acid 4-chloro-2-methoxy-phenyl ester

2-(4-Chloro-2-methoxyphenylthio)-4-methoxybenzoic Acid

<2-(4-Chloro-2-methoxyphenylthio)-5-methoxyphenyl>acetic acid

(4-Chloro-2-methoxy-phenylsulfanyl)-acetonitrile

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