(2,6-dimethylphenyl)methanesulfonyl Chloride

Base Information

• Chemical Name: (2,6-dimethylphenyl)methanesulfonyl Chloride
• CAS No.: 540524-67-2
• Molecular Formula: C9H11ClO2S
• Molecular Weight: 218.704
• Hs Code.: 2904909090
• DSSTox Substance ID: DTXSID70459086
• Wikidata: Q72469510
• Mol file: 540524-67-2.mol

Synonyms:(2,6-dimethylphenyl)methanesulfonyl Chloride;540524-67-2;(2,6-DIMETHYLPHENYL)METHANSULFONYL CHLORIDE;SCHEMBL1501035;DTXSID70459086;SLVJLZHMCFBLKO-UHFFFAOYSA-N;AKOS006335681;(2,6-dimethylphenyl)methanesulfonylChloride;2,6-dimethyl-Benzenemethanesulfonyl chloride;CS-0139463;(2,6-dimethylphenyl)-methanesulfonyl chloride;(2,6-dimethyl-phenyl)-methanesulfonic chloride;EN300-223495

Chemical Property of (2,6-dimethylphenyl)methanesulfonyl Chloride

Chemical Property:

• Boiling Point: 326℃
• Flash Point: 151℃
• PSA: 42.52000
• Density: 1.281
• LogP: 3.45280
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 218.0168285
• Heavy Atom Count: 13
• Complexity: 245

Purity/Quality:

99%min ^*data from raw suppliers

(2,6-dimethylphenyl)methanesulfonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C)CS(=O)(=O)Cl

Technology Process of (2,6-dimethylphenyl)methanesulfonyl Chloride

There total 6 articles about (2,6-dimethylphenyl)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%

→ (2,6-dimethylphenyl)methanesulfonyl chloride (540524-67-2)

Guidance literature:

Reference yield: 96.0%

(2,6-dimethylphenyl)methanesulfonic acid → (2,6-dimethylphenyl)methanesulfonyl chloride (540524-67-2)

Guidance literature:

(2,6-dimethylphenyl)methanesulfonic acid; N,N-dimethyl-formamide; In tetrahydrofuran; water; at -20 ℃;

With oxalyl dichloride; In tetrahydrofuran; water; for 1h;

Reference yield:

2,6-dimethylbenzyl chloride (5402-60-8) → (2,6-dimethylphenyl)methanesulfonyl chloride (540524-67-2)

Guidance literature:

With phosphorus pentachloride; sodium sulfite; trichlorophosphate; Aliquat 336; Multistep reaction; 1.) 100 deg C; 2.) 0 deg C;

DOI:10.1016/S0040-4039(01)81491-X

upstream raw materials:

2,6-dimethylbenzyl chloride

2,6-dimethylbenzyl bromide

2,6-dimethylbenzyl alcohol

Downstream raw materials:

(E)-2,2',5,5'-tetramethylstilbene

C₁₈H₂₀

methyl 4-({2-[5-chloro-2-(2-{[(2,6-dimethylbenzyl)sulfonyl]amino}ethyl)-1-(diphenylmethyl)-1H-indol-3-yl]ethyl}sulfonyl)benzoate

methyl 4-{3-[5-chloro-2-(2-{[(2,6-dimethylbenzyl)sulfonyl]amino}ethyl)-1-(diphenylmethyl)-1H-indol-3-yl]propyl}benzoate

Refernces

• 1、 McKew, John C.,Lee, Katherine L.,Shen, Marina W. H.,Thakker, Paresh,Foley, Megan A.,Behnke, Mark L.,Hu, Baihua,Sum, Fuk-Wah,Tam, Steve,Hu, Yonghan,Chen, Lihren,Kirincich, Steven J.,Michalak, Ronald,Thomason, Jennifer,Ipek, Manus,Wu, Kun,Wooder, Lane,Ramarao, Manjunath K.,Murphy, Elizabeth A.,Goodwin, Debra G.,Albert, Leo,Xu, Xin,Donahue, Frances,Ku, M. Sherry,Keith, James,Nickerson-Nutter, Cheryl L.,Abraham, William M.,Williams, Cara,Hegen, Martin,Clark, James D.. "Indole cytosolic phospholipase A2 α inhibitors: Discovery and in vitro and in vivo characterization of 4-{3-[5-chloro-2-(2-{[(3,4- dichlorobenzyl)sulfonyl]amino}ethyl)-1-(diphenylmethyl)-1H-indol-3-yl]propyl} benzoic acid, efipladib". experimental part. p. 3388 - 3413. Retrieved 2009/05/26.
• 2、 -. "NOVEL SULFONAMIDE DERIVATIVE". Page/Page column 47. . Retrieved 2010/11/25.