2-Chloro-1-[2-methyl-4-(methylsulfanyl)phenyl]ethanone

Base Information

• Chemical Name: 2-Chloro-1-[2-methyl-4-(methylsulfanyl)phenyl]ethanone
• CAS No.: 502484-70-0
• Molecular Formula: C₁₀H₁₁ClOS
• Molecular Weight: 214.716
• NSC Number: 100934
• DSSTox Substance ID: DTXSID20295279
• Wikidata: Q82035118
• Mol file: 502484-70-0.mol

Synonyms:2-chloro-1-[2-methyl-4-(methylsulfanyl)phenyl]ethanone;502484-70-0;NSC100934;NCIOpen2_006735;DTXSID20295279;NSC-100934

Chemical Property of 2-Chloro-1-[2-methyl-4-(methylsulfanyl)phenyl]ethanone

Chemical Property:

• PSA: 42.37000
• LogP: 3.13840
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 214.0219138
• Heavy Atom Count: 13
• Complexity: 184

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)SC)C(=O)CCl

Technology Process of 2-Chloro-1-[2-methyl-4-(methylsulfanyl)phenyl]ethanone

There total 3 articles about 2-Chloro-1-[2-methyl-4-(methylsulfanyl)phenyl]ethanone 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:

toluene-3-thiol (108-40-7) → 2-chloro-1-(2-methyl-4-methylsulfanyl-phenyl)-ethanone (502484-70-0)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous NaOH / Erwaermen auf dem Dampfbad

2: aluminium chloride; carbon disulfide

With carbon disulfide; sodium hydroxide; aluminium trichloride;

DOI:10.1021/ja01212a018

Reference yield:

3-methylthioanisole (4886-77-5) + chloroacetyl chloride (79-04-9) → 2-chloro-1-(2-methyl-4-methylsulfanyl-phenyl)-ethanone (502484-70-0)

Guidance literature:

With carbon disulfide; aluminium trichloride;

DOI:10.1021/ja01212a018

Reference yield:

3-methylthioanisole (4886-77-5) + chloroacetyl chloride (79-04-9) → 6-methyl-benzo[b]thiophen-3-ol (451524-41-7) + 2-chloro-1-(2-methyl-4-methylsulfanyl-phenyl)-ethanone (502484-70-0)

Guidance literature:

With carbon disulfide; aluminium trichloride;

DOI:10.1021/ja01212a018

upstream raw materials:

3-methylthioanisole

chloroacetyl chloride

toluene-3-thiol

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