2-Propanone, 1,3-bis((4-chlorophenyl)thio)-

Base Information

• Chemical Name: 2-Propanone, 1,3-bis((4-chlorophenyl)thio)-
• CAS No.: 57641-34-6
• Molecular Formula: C15H12Cl2OS2
• Molecular Weight: 343.2912
• DSSTox Substance ID: DTXSID30206331
• Wikidata: Q83080154
• ChEMBL ID: CHEMBL3273595

Synonyms:BRN 1997453;2-Propanone, 1,3-bis((4-chlorophenyl)thio)-;1,3-Bis((4-chlorophenyl)thio)-2-propanone;4-06-00-01598 (Beilstein Handbook Reference);57641-34-6;C15H12Cl2OS2;CHEMBL3273595;DTXSID30206331;C15-H12-Cl2-O-S2;LS-122759

Chemical Property of 2-Propanone, 1,3-bis((4-chlorophenyl)thio)-

Chemical Property:

• Vapor Pressure: 1.23E-08mmHg at 25°C
• Boiling Point: 459.8°Cat760mmHg
• Flash Point: 231.9°C
• Density: 1.39g/cm³
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 341.9706627
• Heavy Atom Count: 20
• Complexity: 270

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1SCC(=O)CSC2=CC=C(C=C2)Cl)Cl

Technology Process of 2-Propanone, 1,3-bis((4-chlorophenyl)thio)-

There total 2 articles about 2-Propanone, 1,3-bis((4-chlorophenyl)thio)- 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: 67.0%

1,3-Dichloroacetone (534-07-6) + p-Chlorothiophenol (106-54-7) → 1,3-bis-(4-chloro-phenylsulfanyl)-acetone (57641-34-6)

Guidance literature:

With sodium hydroxide; In ethanol; for 12h; Ambient temperature;

Reference yield:

p-Chlorothiophenol (106-54-7) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → 1,3-bis-(4-chloro-phenylsulfanyl)-acetone (57641-34-6)

Guidance literature:

Multistep reaction; (i) NaOH, DMSO, (ii) /BRN= 79785/, (iii) DMSO, DCC, CF₃CO₂H, Py, Et₂O;

DOI:10.1021/jm00224a006

Reference yield:

1,3-bis-(4-chloro-phenylsulfanyl)-acetone (57641-34-6) → 1,3-bis-(4-chloro-benzenesulfonyl)-acetone (57641-45-9)

Guidance literature:

With dihydrogen peroxide; In acetic acid;

DOI:10.1021/jm00224a006

upstream raw materials:

1,3-Dichloroacetone

p-Chlorothiophenol

epichlorohydrin

Downstream raw materials:

1,3-bis-(4-chloro-benzenesulfonyl)-acetone

1,3-Bis-(4-chloro-phenylsulfanyl)-2-pyridin-2-yl-propan-2-ol; hydrochloride

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