1-Chloromethanesulfonyl-piperidine

Base Information

• Chemical Name: 1-Chloromethanesulfonyl-piperidine
• CAS No.: 90445-23-1
• Molecular Formula: C6H12ClNO2S
• Molecular Weight: 197.686
• DSSTox Substance ID: DTXSID90364067
• Wikidata: Q82147830
• Mol file: 90445-23-1.mol

Synonyms:90445-23-1;1-Chloromethanesulfonyl-piperidine;1-(chloromethylsulfonyl)piperidine;AKOS BC-3091;1-chloromethanesulfonylpiperidine;1-((chloromethyl)sulfonyl)piperidine;1-[(chloromethyl)sulfonyl]piperidine;SCHEMBL10852635;DTXSID90364067;N-(chloro-methylsulphonyl)piperidine;STK724585;AKOS000272928;Piperidine,1-[(chloromethyl)sulfonyl]-;Piperidine, 1-[(chloromethyl)sulfonyl]-;EN300-237834;F1983-0009

Chemical Property of 1-Chloromethanesulfonyl-piperidine

Chemical Property:

• PSA: 45.76000
• LogP: 2.01710
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 197.0277275
• Heavy Atom Count: 11
• Complexity: 203

Purity/Quality:

NLT 98% ^*data from raw suppliers

1-Chloromethanesulfonyl-piperidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)S(=O)(=O)CCl

Technology Process of 1-Chloromethanesulfonyl-piperidine

There total 2 articles about 1-Chloromethanesulfonyl-piperidine 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: 87.0%

piperidine (110-89-4) + monochloromethanesulfonyl chloride (3518-65-8) → 1-((chloromethyl)sulfonyl)piperidine (90445-23-1)

Guidance literature:

With triethylamine; In dichloromethane; at -20 - 20 ℃; for 6h;

DOI:10.1021/ol800785g

Reference yield:

→ 1-((chloromethyl)sulfonyl)piperidine (90445-23-1)

Guidance literature:

aus Piperidin, Chlormethylsulfonchlorid in THF;

Reference yield: 25.0%

1-((chloromethyl)sulfonyl)piperidine (90445-23-1) + 4-phenyl-6-(thiophen-2-yl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile (82127-11-5) → 4-phenyl-2-(piperidin-1-ylsulfonyl)-6-(thiophen-2-yl)thieno[2,3-b]pyridin-3-amine

Guidance literature:

1-((chloromethyl)sulfonyl)piperidine; With lithium bromide; In N,N-dimethyl-formamide; at 100 ℃;

4-phenyl-6-(thiophen-2-yl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile; With triethylamine; In N,N-dimethyl-formamide; at 100 ℃; for 20h;

upstream raw materials:

piperidine

monochloromethanesulfonyl chloride

Refernces