Pentane-2-sulfonyl chloride

Base Information

• Chemical Name: Pentane-2-sulfonyl chloride
• CAS No.: 59427-30-4
• Molecular Formula: C₅H₁₁ClO₂S
• Molecular Weight: 170.66
• European Community (EC) Number: 827-645-8
• Mol file: 59427-30-4.mol

Synonyms:pentane-2-sulfonyl chloride;59427-30-4;2-Pentyl sulfonyl chloride;2-pentylsulfonyl chloride;pentane-2-sulfonylchloride;SCHEMBL457712;SWDKDEZOYSRUBC-UHFFFAOYSA-N;2-pentyl sulfonyl chloride, AldrichCPR;FS-5702;EN300-175826

Chemical Property of Pentane-2-sulfonyl chloride

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 170.0168285
• Heavy Atom Count: 9
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

2-PentylSulfonylChloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

Useful:

• Canonical SMILES: CCCC(C)S(=O)(=O)Cl

Technology Process of Pentane-2-sulfonyl chloride

There total 2 articles about Pentane-2-sulfonyl 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:

pentane-2-thiol (2084-19-7) → pentane-2-sulfonyl chloride (59427-30-4)

Guidance literature:

With chlorine; acetic acid;

DOI:10.1021/jo01144a013

Reference yield:

→ pentane-2-sulfonyl chloride (59427-30-4)

Guidance literature:

Reference yield: 46.0%

tert-butyl (2-(3-aminophenoxy)ethyl)carbamate (246240-10-8) + pentane-2-sulfonyl chloride (59427-30-4) → tert-butyl 2-(3-(1-methylbutylsulfonamido)phenoxy)ethylcarbamate (1222164-76-2)

Guidance literature:

With pyridine; dmap; at 20 ℃; for 15h; Inert atmosphere;

upstream raw materials:

pentane-2-thiol

Downstream raw materials:

p-Kresyl-2-pentansulfonat

pentane-2-sulfonamide

tert-butyl 2-(3-(1-methylbutylsulfonamido)phenoxy)ethylcarbamate

Refernces

• 1、 Hampel, M.,Just, G.,Krebes, W.,Pritzkow, W.. "Studies on Sulphochlorination of Paraffins. VIII. Studies on the Hydrolysis of Individual Alkane Sulphochlorides by Sodium Hydroxide". . p. 987 - 990. Retrieved 2007/10/02.