4-Chlorobutyl methanesulfonate

Base Information

• Chemical Name: 4-Chlorobutyl methanesulfonate
• CAS No.: 26910-61-2
• Molecular Formula: C₅H₁₁ClO₃S
• Molecular Weight: 186.66
• European Community (EC) Number: 608-017-0
• UNII: E9UAD4469R
• DSSTox Substance ID: DTXSID001276650
• Mol file: 26910-61-2.mol

Synonyms:4-chlorobutyl methanesulfonate;26910-61-2;1-Butanol, 4-chloro-, 1-methanesulfonate;E9UAD4469R;DTXSID001276650;AKOS006289284;1-Butanol, 4-chloro-, methanesulfonate;Methanesulfonic acid, 4-chlorobutyl ester;D96361;J-016606

Chemical Property of 4-Chlorobutyl methanesulfonate

Chemical Property:

• Vapor Pressure: 0.00103mmHg at 25°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 186.0117431
• Heavy Atom Count: 10
• Complexity: 158

Purity/Quality:

99.9% ^*data from raw suppliers

4-Chlorobutyl methanesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)OCCCCCl

Technology Process of 4-Chlorobutyl methanesulfonate

There total 2 articles about 4-Chlorobutyl methanesulfonate 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:

4-Chloro-1-butanol (928-51-8) + methanesulfonyl chloride (124-63-0) → 4-chlorobutyl methanesulfonate (26910-61-2)

Guidance literature:

With pyridine; at 0 ℃;

DOI:10.1139/v56-099

Reference yield:

tetrahydrofuran (109-99-9,24979-97-3,77392-70-2) + methanesulfonyl chloride (124-63-0) → 4-chlorobutyl methanesulfonate (26910-61-2)

Guidance literature:

With diethyl ether; zinc(II) chloride;

DOI:10.1139/v56-099

Reference yield: 76.0%

4-chlorobutyl methanesulfonate (26910-61-2) + 1-[2-(2-Hydroxy-5-nitro-phenyl)-benzothiazol-3-yl]-ethanone (112946-97-1) → 1-{2-[2-(4-Chloro-butoxy)-5-nitro-phenyl]-benzothiazol-3-yl}-ethanone (93265-06-6)

Guidance literature:

With potassium carbonate; In isopropyl alcohol; for 2h; Heating;

DOI:10.1021/jm00400a006

upstream raw materials:

tetrahydrofuran

methanesulfonyl chloride

4-Chloro-1-butanol

Downstream raw materials:

4-chlorobutyl thiocyanic ester

1-chloro 4-iodobutane

1-chloro-4-fluorobutane

1-(4-chlorobutyl)-2-nitrocyclohexene