(2-methylphenyl)methanesulfonyl Chloride

Base Information

• Chemical Name: (2-methylphenyl)methanesulfonyl Chloride
• CAS No.: 92614-55-6
• Molecular Formula: C8H9ClO2S
• Molecular Weight: 204.677
• Hs Code.: 2904909090
• European Community (EC) Number: 673-806-9
• DSSTox Substance ID: DTXSID00375280
• Wikidata: Q82163810
• Mol file: 92614-55-6.mol

Synonyms:(2-methylphenyl)methanesulfonyl Chloride;92614-55-6;o-tolylmethanesulfonyl chloride;o-tolyl methanesulfonyl chloride;o-Tolyl-methanesulfonyl chloride;MFCD02683108;2-Methylphenylmethanesulfonyl chloride;(2-Methylphenyl)methanesulphonyl chloride;SCHEMBL1428960;DTXSID00375280;NDMREUGSHNSYBI-UHFFFAOYSA-N;AKOS000130368;AB12323;AM101615;CS-10241;CS-0118949;FT-0642227;EN300-65988;(2-methylphenyl)methanesulfonyl chloride, AldrichCPR

Chemical Property of (2-methylphenyl)methanesulfonyl Chloride

Chemical Property:

• Vapor Pressure: 0.00128mmHg at 25°C
• Melting Point: 52 °C
• Refractive Index: 1.556
• Boiling Point: 307.9 °C at 760 mmHg
• Flash Point: 140 °C
• PSA: 42.52000
• Density: 1.325 g/cm³
• LogP: 3.14440
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 204.0011784
• Heavy Atom Count: 12
• Complexity: 230

Purity/Quality:

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

(2-Methylphenyl)methanesulfonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xn
• Hazard Codes: C,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1CS(=O)(=O)Cl

Technology Process of (2-methylphenyl)methanesulfonyl Chloride

There total 4 articles about (2-methylphenyl)methanesulfonyl Chloride 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: 100.0%

→ 2-methylphenylmethanesulfonyl chloride (92614-55-6)

Guidance literature:

Reference yield: 45.0%

S-(2-methylbenzyl)isothiouronium chloride (73338-92-8) → 2-methylphenylmethanesulfonyl chloride (92614-55-6)

Guidance literature:

With water; chlorine; In dichloromethane; at 10 - 20 ℃;

DOI:10.1002/ejoc.201200670

Reference yield:

1-chloromethyl-2-methylbenzene (552-45-4) → 2-methylphenylmethanesulfonyl chloride (92614-55-6)

Guidance literature:

upstream raw materials:

1-chloromethyl-2-methylbenzene

S-(2-methylbenzyl)isothiouronium chloride

Downstream raw materials:

4-bromo-3-tert-butoxycarbonylmetoxy-5-[3-(1-o-tolylmethanesulfonylpiperidin-4-ylamino)phenyl]thiophene-2-carboxylic acid methyl ester

1-(2-methylphenyl)-3-phenyl-2-thia-3-azabicyclo[3.1.0]hexane 2,2-dioxide

N-allyl-1-(2-methylphenyl)-N-phenylmethanesulfonamide

1-(2-methylphenyl)-N-phenylmethanesulfonamide

Refernces

• 1、 Bhowmick, Suman,Guin, Srimanta,Kumar Singh, Vikas,Maiti, Debabrata,Paton, Robert S.,Porey, Sandip,Zhang, Xinglong. "Alkyne Linchpin Strategy for Drug:Pharmacophore Conjugation: Experimental and Computational Realization of a Meta-Selective Inverse Sonogashira Coupling". supporting information. p. 3762 - 3774. Retrieved 2020/03/10.
• 2、 Bera, Milan,Agasti, Soumitra,Chowdhury, Rajdip,Mondal, Rahul,Pal, Debasis,Maiti, Debabrata. "Rhodium-Catalyzed meta-C?H Functionalization of Arenes". supporting information. p. 5272 - 5276. Retrieved 2017/04/27.