1-Methylsulfonyl-4-benzylpiperidine

Base Information

• Chemical Name: 1-Methylsulfonyl-4-benzylpiperidine
• CAS No.: 132251-82-2
• Molecular Formula: C13H19NO2S
• Molecular Weight: 253.365
• DSSTox Substance ID: DTXSID80367067
• Nikkaji Number: J2.678.353D
• Wikidata: Q82152656
• Mol file: 132251-82-2.mol

Synonyms:1-Methylsulfonyl-4-benzylpiperidine;132251-82-2;Piperidine, 1-(methylsulfonyl)-4-(phenylmethyl)-;4-benzyl-1-methylsulfonylpiperidine;1-Mesyl-4-benzylpiperidine;Cambridge id 5351181;TimTec1_003074;Oprea1_182545;Oprea1_232181;SCHEMBL9737540;DTXSID80367067;HMS1542L16;STK096356;4-benzyl-1-(methylsulfonyl)piperidine;AKOS000673323;CCG-104719;BRD-K23427120-001-01-6

Chemical Property of 1-Methylsulfonyl-4-benzylpiperidine

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 253.11365002
• Heavy Atom Count: 17
• Complexity: 320

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)N1CCC(CC1)CC2=CC=CC=C2

Technology Process of 1-Methylsulfonyl-4-benzylpiperidine

There total 3 articles about 1-Methylsulfonyl-4-benzylpiperidine 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: 89.0%

CH4O3S*C12H17N → 4-benzyl-1-(methanesulfonyl)piperidine (132251-82-2)

Guidance literature:

CH₄O₃S*C₁₂H₁₇N; With 1,3,5-trichloro-2,4,6-triazine; In acetonitrile; at 20 ℃; for 0.5h;

With triethylamine; In acetonitrile;

DOI:10.1055/s-0029-1217020

Reference yield:

4-benzylpyperidine (31252-42-3) + methanesulfonyl chloride (124-63-0) → 4-benzyl-1-(methanesulfonyl)piperidine (132251-82-2)

Guidance literature:

With triethylamine; In tetrahydrofuran;

DOI:10.1021/ol8021337

Reference yield:

→ 4-benzyl-1-(methanesulfonyl)piperidine (132251-82-2)

Guidance literature:

upstream raw materials:

4-benzylpyperidine

methanesulfonyl chloride

Downstream raw materials:

4-benzylpyperidine

Refernces

• 1、 Rad, Mohammad Navid Soltani,Khalafi-Nezhad, Ali,Asrari, Zeinab,Behrouz, Somayeh,Amini, Zohreh,Behrouz, Marzieh. "One-Pot synthesis of sulfonamides from primary and secondary amine derived sulfonate salts using cyanuric chloride". experimental part. p. 3983 - 3988. Retrieved 2010/03/26.
• 2、 -. "NOVEL PYRROLE-BASED HMG-COA REDUCTASE INHIBITORS". Page/Page column 75. . Retrieved 2010/02/10.