Benzyl 2-chloroethyl sulfone

Base Information

• Chemical Name: Benzyl 2-chloroethyl sulfone
• CAS No.: 66998-67-2
• Molecular Formula: C9H11ClO2S
• Molecular Weight: 218.704
• European Community (EC) Number: 266-535-9
• NSC Number: 202555
• UNII: VH2M64G864
• DSSTox Substance ID: DTXSID80217194
• Nikkaji Number: J310.178I
• Wikidata: Q83093650
• Mol file: 66998-67-2.mol

Synonyms:Benzyl 2-chloroethyl sulfone;66998-67-2;[(2-chloroethanesulfonyl)methyl]benzene;2-chloroethylsulfonylmethylbenzene;(((2-Chloroethyl)sulfonyl)methyl)benzene;2-benzylsulfonylethyl chloride;(((2-Chloroethyl)sulphonyl)methyl)benzene;VH2M64G864;EINECS 266-535-9;NSC-202555;1-{[(2-chloroethyl)sulfonyl]methyl}benzene;Benzene, [[(2-chloroethyl)sulfonyl]methyl]-;[[(2-Chloroethyl)sulfonyl]methyl]benzene;{[(2-chloroethyl)sulfonyl]methyl}benzene;((2-CHLOROETHANESULFONYL)METHYL)BENZENE;1-(((2-CHLOROETHYL)SULFONYL)METHYL)BENZENE;BENZENE, (((2-CHLOROETHYL)SULFONYL)METHYL)-;NSC202555;1-{[(2-chloroethyl)sulphonyl]methyl}benzene;UNII-VH2M64G864;SCHEMBL1149170;DTXSID80217194;BENZYL-2-CHLOROETHYLSULFONE;MFCD00018967;STL370892;SULFONE, BENZYL 2-CHLOROETHYL;AKOS009157623;NSC 202555;Benzene, [(2-chloroethyl)sulfonyl]methyl-;([(2-Chloroethyl)sulfonyl]methyl)benzene #;FT-0728209;EN300-190291

Chemical Property of Benzyl 2-chloroethyl sulfone

Chemical Property:

• Vapor Pressure: 3.06E-06mmHg at 25°C
• Boiling Point: 399.9°Cat760mmHg
• Flash Point: 195.6°C
• Density: 1.277g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 218.0168285
• Heavy Atom Count: 13
• Complexity: 225

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CS(=O)(=O)CCCl

Technology Process of Benzyl 2-chloroethyl sulfone

There total 9 articles about Benzyl 2-chloroethyl 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: 78.0%

1-(benzylthio)-2-chloroethane (4332-51-8) → 2-benzylsulfonylethyl chloride (66998-67-2)

Guidance literature:

With dihydrogen peroxide; In acetic acid;

Reference yield:

dibenzyl disulphide (150-60-7) → 2-benzylsulfonylethyl chloride (66998-67-2)

Guidance literature:

Multi-step reaction with 3 steps

1: Cl₂ / CH₂Cl₂

3: aq. H₂O₂

With dihydrogen peroxide; chlorine; In dichloromethane;

DOI:10.1021/jo01065a076

Reference yield:

2-(benzylthio)ethanol (3878-41-9) → 2-benzylsulfonylethyl chloride (66998-67-2)

Guidance literature:

With hydrogenchloride; sodium hypochlorite;

upstream raw materials:

ethene

thiophosphoric acid S-benzyl ester O,O'-diethyl ester

1-(benzylthio)-2-chloroethane

2-(benzylthio)ethanol

Downstream raw materials:

C₁₆H₁₈O₂S₂

(2-Methylsulfanyl-ethanesulfonylmethyl)-benzene

2-phenylthiaetane-S,S-dioxide

((vinylsulfonyl)methyl)benzene

Refernces

• 1、 Abdel-Wahab, Aboel-Magd A.,El-Khawaga, Ahmed M.,El-Zohry, Maher F.,Khalaf, Ali A.. "MODERN FRIEDEL-CRAFTS CHEMISTRY. XI. CYCLIZATION OF ARYL HALOALKYL SULFONES, ARYLSULFONYLACYL CHLORIDES AND THEIR CORRESPONDING SULFIDES". . p. 31 - 44. Retrieved 2007/10/02.