4-Methylpiperidine-1-sulfonyl chloride

Base Information

• Chemical Name: 4-Methylpiperidine-1-sulfonyl chloride
• CAS No.: 41483-70-9
• Molecular Formula: C6H12ClNO2S
• Molecular Weight: 197.686
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID60585520
• Wikidata: Q82477498
• Mol file: 41483-70-9.mol

Synonyms:4-methylpiperidine-1-sulfonyl chloride;41483-70-9;4-Methyl-piperidine-1-sulfonyl chloride;MFCD08445024;SCHEMBL3021365;DTXSID60585520;IVVNPRFHZBOVAZ-UHFFFAOYSA-N;4-methylpiperidine-1-sulfonylchloride;4-methyl-1-piperidinesulfonyl chloride;AKOS000136477;SB41305;s11003;AS-54509;SY082916;CS-0152677;EN300-29511;A903836;4-methylpiperidine-1-sulfonyl chloride, AldrichCPR;Z228589068

Chemical Property of 4-Methylpiperidine-1-sulfonyl chloride

Chemical Property:

• Boiling Point: 279.2±7.0 °C(Predicted)
• PKA: -8.21±0.40(Predicted)
• PSA: 45.76000
• Density: 1.33±0.1 g/cm3(Predicted)
• LogP: 2.22060
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 197.0277275
• Heavy Atom Count: 11
• Complexity: 213

Purity/Quality:

98%min ^*data from raw suppliers

4-Methylpiperidine-1-sulfonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCN(CC1)S(=O)(=O)Cl

Technology Process of 4-Methylpiperidine-1-sulfonyl chloride

There total 2 articles about 4-Methylpiperidine-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: 40.0%

4-methylpiperidin (626-58-4) → 4-methylpiperidine-1-sulfonyl chloride (41483-70-9)

Guidance literature:

With sulfuryl dichloride; at 0 - 60 ℃; for 5h;

DOI:10.1007/s00044-021-02802-w

Reference yield:

sodium; 4-methyl-piperidine-1-sulfonate → 4-methylpiperidine-1-sulfonyl chloride (41483-70-9)

Guidance literature:

With trichlorophosphate; In 1,2-dichloro-ethane; at 80 ℃; for 18h;

DOI:10.1016/j.bmcl.2004.03.089

Reference yield: 35.0%

C27H30N2O6 + 4-methylpiperidine-1-sulfonyl chloride (41483-70-9) → 4-methyl-1-[cis-(2,4,5-tris(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazol-1-yl)sulfonyl]piperidine

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 0 - 20 ℃; for 24h;

DOI:10.1007/s00044-021-02802-w

upstream raw materials:

4-methylpiperidin

Downstream raw materials:

N-[4-[2-[[(2R)-2-hydroxy-2-(3-pyridinyl)ethyl]amino]-2-methylpropyl]phenyl]-4-methyl-1-piperidinesulfonamide

Refernces

• 1、 Dow, Robert L.,Paight, Ernest S.,Schneider, Steven R.,Hadcock, John R.,Hargrove, Diane M.,Martin, Kelly A.,Maurer, Tristan S.,Nardone, Nancy A.,Tess, David A.,DaSilva-Jardine, Paul. "Potent and selective, sulfamide-based human β3-adrenergic receptor agonists". . p. 3235 - 3240. Retrieved 2007/10/03.