But-3-yn-1-yl methanesulfonate

Base Information

• Chemical Name: But-3-yn-1-yl methanesulfonate
• CAS No.: 72486-09-0
• Molecular Formula: C5H8O3S
• Molecular Weight: 148.183
• European Community (EC) Number: 686-935-0
• Mol file: 72486-09-0.mol

Synonyms:but-3-yn-1-yl methanesulfonate;72486-09-0;but-3-ynyl methanesulfonate;3-butynyl methanesulfonate;But-3-ynyl methanesulphonate;SCHEMBL312544;1-butyn-4-yl methanesulfonate;but-3-yn-1-ylmethanesulfonate;3-Butyn-1-ol 1-methanesulfonate;APJYYFNGGGLDJF-UHFFFAOYSA-N;MFCD12912983;Methanesulfonic acid but-3-ynyl ester;AKOS040806517;Methanesulphonic acid but-3-ynyl ester;CS-0434212;EN300-51555;W16028

Chemical Property of But-3-yn-1-yl methanesulfonate

Chemical Property:

• PSA: 82.98000
• LogP: 0.58680
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 148.01941529
• Heavy Atom Count: 9
• Complexity: 200

Purity/Quality:

99% ^*data from raw suppliers

3-Butynyl Methanesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)OCCC#C
• Uses: 3-Butynyl Methanesulfonate is used as a reagent in the preparation of CDC25 phosphatase inhibitors which would lead to tumor inhibition.

Technology Process of But-3-yn-1-yl methanesulfonate

There total 3 articles about But-3-yn-1-yl 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: 100.0%

methanesulfonyl chloride (124-63-0) + 3-Butyn-1-ol (927-74-2) → methanesulfonic acid but-3-ynyl ester (72486-09-0)

Guidance literature:

With triethylamine; at 0 - 20 ℃;

DOI:10.1021/acs.jmedchem.6b00096

Reference yield: 94.6%

methanesulfonyl chloride (124-63-0) + 3-Butyn-1-ol (927-74-2) → methanesulfonic acid but-3-ynyl ester (72486-09-0)

Guidance literature:

With triethylamine; In dichloromethane; water;

Reference yield: 66.2%

3-Butyn-1-ol (927-74-2) → methanesulfonic acid but-3-ynyl ester (72486-09-0)

Guidance literature:

With methanesulfonyl chloride; triethylamine; In tetrahydrofuran; at 20 ℃; for 4h;

upstream raw materials:

methanesulfonyl chloride

3-Butyn-1-ol

Downstream raw materials:

but-1-yn-4-yl phenyl selenide

N-(3-butynyl)phthalimide

Cyclopropylidenemethyl-dimethyl-phenyl-silane

1-dimethylphenylsilyl-1-cyclobutene