Ethanone, 1-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonyl]-

Base Information

• Chemical Name: Ethanone, 1-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonyl]-
• CAS No.: 112393-45-0
• Molecular Formula: C14H10Cl2O3S
• Molecular Weight: 329.204
• DSSTox Substance ID: DTXSID60363027
• Nikkaji Number: J304.494G
• Wikidata: Q82146573
• Mol file: 112393-45-0.mol

Synonyms:112393-45-0;Ethanone, 1-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonyl]-;1-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylethanone;1-(4-Chlorophenyl)-2-((4-chlorophenyl)sulfonyl)ethanone;1-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonyl]-1-ethanone;SCHEMBL6203276;DTXSID60363027;MFCD00138907;AKOS005087389;3D-018;4'-Chloro-alpha-(4-chlorophenylsulfonyl)acetophenone;2-(4-chlorobenzenesulfonyl)-1-(4-chlorophenyl)ethan-1-one

Chemical Property of Ethanone, 1-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonyl]-

Chemical Property:

• PSA: 59.59000
• LogP: 4.73080
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 327.9727707
• Heavy Atom Count: 20
• Complexity: 428

Purity/Quality:

1-(4-CHLOROPHENYL)-2-[(4-CHLOROPHENYL)SULFONYL]-1-ETHANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)CS(=O)(=O)C2=CC=C(C=C2)Cl)Cl

Technology Process of Ethanone, 1-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonyl]-

There total 3 articles about Ethanone, 1-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonyl]- 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: 76.0%

4-n-chlorophenylacetylene (873-73-4) + p-chlorophenylsulfonyl hydrazide (2751-25-9) → 1-(4-chlorophenyl)-2-((4-chlorophenyl)sulfonyl)ethan-1-one (112393-45-0)

Guidance literature:

With tris(bipyridine)ruthenium(II) dichloride hexahydrate; oxygen; sodium acetate; potassium iodide; In water; N,N-dimethyl-formamide; at 20 ℃; under 760.051 Torr; Irradiation;

DOI:10.1039/c6ob00617e

Reference yield: 66.0%

C15H12Cl2O2 + sodium p-chlorobenzenesulphinate (14752-66-0) → 1-(4-chlorophenyl)-2-((4-chlorophenyl)sulfonyl)ethan-1-one (112393-45-0)

Guidance literature:

With sodium hydrogencarbonate; potassium iodide; In tetrahydrofuran; at 50 ℃; for 4h; chemoselective reaction;

DOI:10.1080/00397911.2017.1362439

Reference yield:

sodium p-chlorobenzenesulphinate (14752-66-0) + para-chloroacetophenone (99-91-2) → 1-(4-chlorophenyl)-2-((4-chlorophenyl)sulfonyl)ethan-1-one (112393-45-0)

Guidance literature:

para-chloroacetophenone; With phenyltrimethylammonium tribromide; In acetonitrile; at 20 ℃;

sodium p-chlorobenzenesulphinate; In acetonitrile; at 20 ℃;

upstream raw materials:

sodium p-chlorobenzenesulphinate

para-chloroacetophenone

4-n-chlorophenylacetylene

p-chlorophenylsulfonyl hydrazide

Downstream raw materials:

5-(4-chloro-benzenesulfonyl)-4-(4-chloro-phenyl)-[1,2,3]selenadiazole