Methanesulfonic acid hex-5-ynyl ester

Base Information

• Chemical Name: Methanesulfonic acid hex-5-ynyl ester
• CAS No.: 79496-61-0
• Molecular Formula: C7H12O3S
• Molecular Weight: 176.236
• European Community (EC) Number: 838-287-7
• Mol file: 79496-61-0.mol

Synonyms:79496-61-0;methanesulfonic acid hex-5-ynyl ester;5-Hexyn-1-ol 1-methanesulfonate;hex-5-ynyl methanesulfonate;HEX-5-YN-1-YL METHANESULFONATE;Hex-5-ynyl methanesulphonate;1-Hex-5-ynyl methanesulfonate;SCHEMBL1142936;5-Hexyn-1-ol1-methanesulfonate;XSECZSJAHVFTEN-UHFFFAOYSA-N;5-Hexyn-1-ol, 1-methanesulfonate;F70281;EN300-7425905

Chemical Property of Methanesulfonic acid hex-5-ynyl ester

Chemical Property:

• PSA: 51.75000
• LogP: 1.84690
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 176.05071541
• Heavy Atom Count: 11
• Complexity: 226

Purity/Quality:

99% ^*data from raw suppliers

Methanesulfonicacidhex-5-ynylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)OCCCCC#C

Technology Process of Methanesulfonic acid hex-5-ynyl ester

There total 1 articles about Methanesulfonic acid hex-5-ynyl ester 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%

5-hexyl-1-ol (928-90-5) + methanesulfonyl chloride (124-63-0) → hex-5-ynyl methanesulphonate (79496-61-0)

Guidance literature:

With triethylamine; In dichloromethane; at 0 ℃;

DOI:10.1016/j.ejmech.2020.112460

Reference yield: 79.0%

hex-5-ynyl methanesulphonate (79496-61-0) + C37H60O3 (275820-16-1) → C36H62O3

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide; at 30 ℃; for 72h;

DOI:10.1021/acs.chemmater.8b00992

Reference yield: 70.0%

hex-5-ynyl methanesulphonate (79496-61-0) + N-(tert-butyloxycarbonyl)-2-fluorobenzylamine (153903-21-0) → tert-butyl 2-fluorobenzyl(hex-5-yn-1-yl)carbamate

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃; for 64h;

DOI:10.1016/j.tet.2018.05.085

upstream raw materials:

5-hexyl-1-ol

methanesulfonyl chloride

Downstream raw materials:

1,1-Bis(2,2,2-trifluorethoxy)cyclohexan

cyclohexenyl trifluoroethyl ether

hept-6-ynenitrile

methyl 1-acetyl-2-methylcyclohexane-2-enecarboxylate

Refernces

• 1、 Das, Viswanath,El Anwar, Suzan,Holub, Josef,Kugler, Michael,Nekvinda, Jan,?ezá?ová, Pavlína,?ícha, Václav,Brynda, Ji?í,D?ubák, Petr,Dvo?anová, Jana,Fábry, Milan,Grüner, Bohumír,Gurská, Soňa,Hajdúch, Marián,Havránek, Miroslav,Král, Vlastimil,Li?ková, Barbora,Matějková, Stanislava,Medvedíková, Martina,Pospí?ilová, Klára. "Sulfonamido carboranes as highly selective inhibitors of cancer-specific carbonic anhydrase IX". supporting information. . Retrieved 2020/06/08.
• 2、 Singh, Kamaljeet,Fennell, Christopher J.,Coutsias, Evangelos A.,Latifi, Reza,Hartson, Steve,Weaver, Jimmie D.. "Light Harvesting for Rapid and Selective Reactions: Click Chemistry with Strain-Loadable Alkenes". supporting information. p. 124 - 137. Retrieved 2018/01/17.