1-(Chloromethyl)-4-(methylsulfonyl)benzene

Base Information

• Chemical Name: 1-(Chloromethyl)-4-(methylsulfonyl)benzene
• CAS No.: 40517-43-9
• Molecular Formula: C8H9ClO2S
• Molecular Weight: 204.677
• Hs Code.: 2904909090
• European Community (EC) Number: 674-097-9
• DSSTox Substance ID: DTXSID10960924
• Wikidata: Q72490761
• Mol file: 40517-43-9.mol

Synonyms:40517-43-9;4-(methylsulfonyl)benzyl chloride;1-(Chloromethyl)-4-(methylsulfonyl)benzene;p-(Methylsulfonyl)benzyl chloride;1-(chloromethyl)-4-methylsulfonylbenzene;p-Methylsulfonylbenzyl chloride;4-methylsulfonylbenzyl chloride;4-(methylsulfonyl)benzylchloride;1-(chloromethyl)-4-methanesulfonylbenzene;Benzene, 1-(chloromethyl)-4-(methylsulfonyl)-;p-methylsufonylbenzyl chloride;SCHEMBL398570;4-methanesulfonylbenzyl chloride;p- methylsulfonylbenzyl chloride;DTXSID10960924;CK2015;MFCD00079774;AKOS015852465;1-chloromethyl-4-methanesulfonylbenzene;AS-45848;1-(chloromethyl)-4-methylsulfonyl-benzene;1-chloromethyl-4-(methanesulfonyl)-benzene;1-(Chloromethyl)-4-(methanesulfonyl)benzene;FT-0639648;1-(Chloromethyl)-4-(methylsulfonyl)benzene #;EN300-174490;5-(3-Hydroxy-phenyl)-isoxazole-3-carboxylicacid;A825150

Chemical Property of 1-(Chloromethyl)-4-(methylsulfonyl)benzene

Chemical Property:

• Vapor Pressure: 3.41E-05mmHg at 25°C
• Melting Point: 78-80°C
• Refractive Index: 1.537
• Boiling Point: 365 °C at 760 mmHg
• Flash Point: 174.5 °C
• PSA: 42.52000
• Density: 1.287 g/cm³
• LogP: 2.90970
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 204.0011784
• Heavy Atom Count: 12
• Complexity: 222

Purity/Quality:

99% ^*data from raw suppliers

P-(Methylsulfonyl)benzylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

Useful:

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

Technology Process of 1-(Chloromethyl)-4-(methylsulfonyl)benzene

There total 11 articles about 1-(Chloromethyl)-4-(methylsulfonyl)benzene 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: 90.0%

p-methylsulfonylbenzyl alcohol (22821-77-8) → 1-(chloromethyl)-4-(methylsulfonyl)benzene (40517-43-9)

Guidance literature:

With thionyl chloride; In dichloromethane; at 20 ℃;

Reference yield: 62.9%

p-methylsulfonylbenzyl alcohol (22821-77-8) + methanesulfonyl chloride (124-63-0) → 1-(chloromethyl)-4-(methylsulfonyl)benzene (40517-43-9)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 15h;

Reference yield:

methyl 4-(methanesulfonyl)benzoate (22821-70-1) → 1-(chloromethyl)-4-(methylsulfonyl)benzene (40517-43-9)

Guidance literature:

Multi-step reaction with 3 steps

1: LiAlH₄; diethyl ether

3: CHCl₃; chlorine

With lithium aluminium tetrahydride; diethyl ether; chloroform; chlorine;

upstream raw materials:

p-methylsulfonylbenzyl alcohol

(4-iodomethyl-phenyl)-methyl sulfone

Methyl p-tolyl sulfone

methylsulfonyl-4 benzoate d'ethyle

Downstream raw materials:

(4-iodomethyl-phenyl)-methyl sulfone

[(N-boc-piperidin-4-yl)methyl]-(4-methanesulphonyl-phenylmethyl)sulphide

tert-butyl 8-[(4-methylpiperidin-1-yl)carbonyl]-5-[4-(methylsulfonyl)benzyl]-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole-2-carboxylate

C₂₀H₁₇F₂NO₅S

Refernces

• 1、 -. "PYRROLIDINE GLYCOSIDASE INHIBITORS". Page/Page column 132-133. . Retrieved 2020/03/15.
• 2、 -. "METHOD OF CONVERTING ALCOHOL TO HALIDE". Page/Page column 51; 166; 167. . Retrieved 2017/01/02.