Pent-4-yne-1-sulfonyl chloride

Base Information

• Chemical Name: Pent-4-yne-1-sulfonyl chloride
• CAS No.: 67448-64-0
• Molecular Formula: C5H7ClO2S
• European Community (EC) Number: 852-346-4
• Mol file: 67448-64-0.mol

Synonyms:pent-4-yne-1-sulfonyl chloride;67448-64-0;pent-4-yne-1-sulfonylchloride;SCHEMBL10714439;AKOS006335442;BS-52543;E74683;EN300-189720

Chemical Property of Pent-4-yne-1-sulfonyl chloride

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 165.9855283
• Heavy Atom Count: 9
• Complexity: 203

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C#CCCCS(=O)(=O)Cl

Technology Process of Pent-4-yne-1-sulfonyl chloride

There total 3 articles about Pent-4-yne-1-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: 78.0%

sodium pent-4-yne-1-sulfonate → pent-4-yne-1-sulfonyl chloride (67448-64-0)

Guidance literature:

With thionyl chloride; In N,N-dimethyl-formamide; for 3h; Reflux;

DOI:10.1016/j.ejmech.2020.112460

Reference yield:

pent-4-yn-1-yl methanesulfonate (68275-03-6) → pent-4-yne-1-sulfonyl chloride (67448-64-0)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium iodide / acetone / 19 h / Reflux

2: sodium sulfite / methanol; water / 48 h / Reflux

3: thionyl chloride / N,N-dimethyl-formamide / 3 h / Reflux

With thionyl chloride; sodium iodide; sodium sulfite; In methanol; water; N,N-dimethyl-formamide; acetone;

DOI:10.1016/j.ejmech.2020.112460

Reference yield:

5-iodopent-1-yne (2468-55-5) → pent-4-yne-1-sulfonyl chloride (67448-64-0)

Guidance literature:

Multistep reaction; (i) aq. Na₂SO₃, (ii) PCl₅;

upstream raw materials:

5-iodopent-1-yne

pent-4-yn-1-yl methanesulfonate

Refernces