p-Chlorophenyl chloromethyl sulfone

Base Information

• Chemical Name: p-Chlorophenyl chloromethyl sulfone
• CAS No.: 5943-04-4
• Molecular Formula: C7H6 Cl2 O2 S
• Molecular Weight: 225.095
• Hs Code.: 2904909090
• European Community (EC) Number: 227-701-6
• NSC Number: 3212
• UNII: S5L6B8BQ2A
• DSSTox Substance ID: DTXSID90208154
• Nikkaji Number: J8.310K
• Wikidata: Q83082257
• Mol file: 5943-04-4.mol

Synonyms:5943-04-4;p-Chlorophenyl chloromethyl sulfone;Lauseto-Neu;(chloromethyl)(4-chlorophenyl)dioxo-lambda~6~-sulfane;1-chloro-4-(chloromethylsulfonyl)benzene;1-CHLORO-4-[(CHLOROMETHYL)SULPHONYL]BENZENE;NSC 3212;Sulfone, chloromethyl p-chlorophenyl;Benzene, 1-chloro-4-[(chloromethyl)sulfonyl]-;1-chloro-4-chloromethanesulfonylbenzene;1-chloro-4-((chloromethyl)sulfonyl)benzene;1-Chloro-4-((chloromethyl)sulphonyl)benzene;Chloromethyl-p-chlorophenyl sulfone;Chloromethyl-4-chlorophenyl sulfone;NSC-3212;AI3-08607;Lauseto neu;chloromethyl p-chlorophenyl sulfone;WLN: G1SWR DG;S5L6B8BQ2A;SCHEMBL2914219;DTXSID90208154;NSC3212;4-Chlorophenyl chloromethyl sulfone;EINECS 227-701-6;MFCD00032558;AKOS005071094;(Chloromethyl)(4-chlorophenyl)dioxo-sulfane;FT-0680628;1-Chloro-4-[(chloromethyl)sulfonyl]benzene #;Benzene, 1-chloro-4-((chloromethyl)sulfinyl)-;D-1210;7Z-0708;(Chloromethyl)(4-chlorophenyl)dioxo-lambda6-sulfane;J-504511

Chemical Property of p-Chlorophenyl chloromethyl sulfone

Chemical Property:

• Vapor Pressure: 3.62E-05mmHg at 25°C
• Boiling Point: 364°C at 760 mmHg
• Flash Point: 174°C
• PSA: 42.52000
• Density: 1.456g/cm³
• LogP: 3.39080
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 223.9465560
• Heavy Atom Count: 12
• Complexity: 224

Purity/Quality:

99% ^*data from raw suppliers

(Chloromethyl)(4-chlorophenyl)dioxo-lambda~6~-sulfane >90% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1S(=O)(=O)CCl)Cl

Technology Process of p-Chlorophenyl chloromethyl sulfone

There total 16 articles about p-Chlorophenyl chloromethyl sulfone 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: 74.0%

sodium p-chlorobenzenesulphinate (14752-66-0) + sodium dichloroacetate (2156-56-1) → chloromethyl p-chlorophenyl sulfone (5943-04-4)

Guidance literature:

In water; at 90 ℃; for 7h;

DOI:10.1016/j.bmc.2014.11.038

Reference yield: 47.0%

chlorobromomethane (74-97-5) + sodium p-chlorobenzenesulphinate (14752-66-0) → chloromethyl p-chlorophenyl sulfone (5943-04-4)

Guidance literature:

In dimethyl sulfoxide; at 58 ℃; for 12h;

DOI:10.1080/00397910600943873

Reference yield:

4-chlorophenyl methyl sulfide (123-09-1) → chloromethyl p-chlorophenyl sulfone (5943-04-4)

Guidance literature:

4-chlorophenyl methyl sulfide; With N-iodo-succinimide; In tetrachloromethane; at 35 ℃; for 24h;

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 - 20 ℃; for 5.66667h;

DOI:10.1021/acs.joc.6b02844

upstream raw materials:

dichloro-acetic acid

4-chlorobenzenesulfinic acid

chloromethyl 4-chlorophenyl sulfide

4-chloromethanesulfonyl-aniline

Downstream raw materials:

2-nitro-4-chloromethylsulfonylchlorobenzene

2-(4-Chloro-benzenesulfonyl)-3-phenyl-1-aza-bicyclo[1.1.0]butane

C₁₈H₂₀ClN₃O₄S

Refernces

• 1、 Li, Zhen,Chen, Quan,Mayer, Peter,Mayr, Herbert. "Nucleophilicity Parameters of Arylsulfonyl-Substituted Halomethyl Anions". . p. 2011 - 2017. Retrieved 2017.
• 2、 Crozet, Maxime D.,Botta, Celine,Gasquet, Monique,Curti, Christophe,Remusat, Vincent,Hutter, Sebastien,Chapelle, Olivier,Azas, Nadine,De Meo, Michel,Vanelle, Patrice. "Lowering of 5-nitroimidazole's mutagenicity: Towards optimal antiparasitic pharmacophore". scheme or table. p. 653 - 659. Retrieved 2009/09/08.