1-Butyne, 4-(methylsulfonyl)-

Base Information

• Chemical Name: 1-Butyne, 4-(methylsulfonyl)-
• CAS No.: 192989-95-0
• Molecular Formula: C5H8O2S
• Molecular Weight: 132.183
• European Community (EC) Number: 835-990-0
• Mol file: 192989-95-0.mol

Synonyms:1-Butyne, 4-(methylsulfonyl)-;4-methanesulfonylbut-1-yne;192989-95-0;4-methylsulfonylbut-1-yne;1-mesylbut-3-yne;4-(methylsulfonyl)but-1-yne;SCHEMBL3474802;OBQRIFORODSOHO-UHFFFAOYSA-N;EN300-1987942

Chemical Property of 1-Butyne, 4-(methylsulfonyl)-

Chemical Property:

• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 132.02450067
• Heavy Atom Count: 8
• Complexity: 186

Purity/Quality:

99% ^*data from raw suppliers

1-Butyne,4-(methylsulfonyl)- ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CS(=O)(=O)CCC#C

Technology Process of 1-Butyne, 4-(methylsulfonyl)-

There total 5 articles about 1-Butyne, 4-(methylsulfonyl)- 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: 94.6%

methanesulfonyl chloride (124-63-0) + 3-Butyn-1-ol (927-74-2) → 1-methanesulfonyl-3-butyn (192989-95-0)

Guidance literature:

With triethylamine; In dichloromethane; water;

Reference yield: 61.0%

trimethyl phosphite (512-56-1) + 4-bromobut-1-yne (38771-21-0) → 1-methanesulfonyl-3-butyn (192989-95-0)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; caesium carbonate; Aminoiminomethanesulfinic acid; potassium iodide; In dimethyl sulfoxide; at 80 ℃; for 15h; Inert atmosphere;

DOI:10.1039/c9gc03841h

Reference yield:

methanesulfonic acid but-3-ynyl ester (72486-09-0) → 1-methanesulfonyl-3-butyn (192989-95-0)

Guidance literature:

methanesulfonic acid but-3-ynyl ester; With sodium thiomethoxide; In ethanol; at 20 ℃; for 12.0833h;

With peracetic acid; In ethanol; water; at 20 ℃; for 8h;

upstream raw materials:

methanesulfonyl chloride

3-Butyn-1-ol

methanesulfonic acid but-3-ynyl ester

sodium thiomethoxide

Downstream raw materials:

N-benzyl-4-amino-1-butyne

1-(3-Butynyl)-4-hydroxy-4-((4-chloro)phenyl)piperidine

4-benzyl-1-(3-Butynyl)piperidine

4-(4-chlorobenzyl)-1-but-3-ynylpiperidine