2-(4-Chlorophenylthio)-1-(4-methylphenyl)ethanone

Base Information

• Chemical Name: 2-(4-Chlorophenylthio)-1-(4-methylphenyl)ethanone
• CAS No.: 33631-98-0
• Molecular Formula: C₁₅H₁₃ClOS
• Molecular Weight: 276.787
• DSSTox Substance ID: DTXSID301221761
• Mol file: 33631-98-0.mol

Synonyms:SCHEMBL6826443;JMCRBOGMGAKBRK-UHFFFAOYSA-N;DTXSID301221761;AKOS008907859;2-(4-Chlorophenylthio)-1-(4-methylphenyl)ethanone;2-[(4-Chlorophenyl)thio]-1-(4-methylphenyl)ethanone;33631-98-0

Chemical Property of 2-(4-Chlorophenylthio)-1-(4-methylphenyl)ethanone

Chemical Property:

• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 276.0375639
• Heavy Atom Count: 18
• Complexity: 266

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)CSC2=CC=C(C=C2)Cl

Technology Process of 2-(4-Chlorophenylthio)-1-(4-methylphenyl)ethanone

There total 3 articles about 2-(4-Chlorophenylthio)-1-(4-methylphenyl)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: 82.0%

p-Chlorothiophenol (106-54-7) + 4-(bromoacetyl)toluene (619-41-0) → 2-(4-chlorophenylthio)-1-(4-methylphenyl)ethanone (33631-98-0)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 3h;

Reference yield:

2,4,6-Trinitro-benzenesulfonic acid (E)-2-(4-chloro-phenylsulfanyl)-1-p-tolyl-vinyl ester (33649-36-4) → 2-(4-chlorophenylthio)-1-(4-methylphenyl)ethanone (33631-98-0)

Guidance literature:

With methanol; In dichloromethane;

DOI:10.1039/j29710001700

Reference yield:

4-n-methylphenylacetylene (766-97-2) → 2-(4-chlorophenylthio)-1-(4-methylphenyl)ethanone (33631-98-0)

Guidance literature:

Multi-step reaction with 2 steps

1: nitromethane

2: MeOH / CH₂Cl₂

With methanol; In nitromethane; dichloromethane;

DOI:10.1039/j29710001700

upstream raw materials:

2,4,6-Trinitro-benzenesulfonic acid (E)-2-(4-chloro-phenylsulfanyl)-1-p-tolyl-vinyl ester

4-n-methylphenylacetylene

p-Chlorothiophenol

4-(bromoacetyl)toluene

Downstream raw materials:

2-((4-chlorophenyl)sulfonyl)-1-(p-tolyl)ethan-1-one

2-[(4-chlorophenyl)sulfanyl]-1-(4-methylphenyl)-1-ethanone N-[(Z)-2-[(4-chlorophenyl)sulfanyl]-1-(4-methylphenyl)ethylidene]hydrazone

5-chloro-2-(4-methylphenyl)benzo[b]thiophene

4-(4-Chloro-benzenesulfonyl)-5-(2-chloro-phenyl)-3-p-tolyl-4,5-dihydro-1H-pyrazole