Methyl 1-(methylsulfonyl)-4-piperidinecarboxylate

Base Information

• Chemical Name: Methyl 1-(methylsulfonyl)-4-piperidinecarboxylate
• CAS No.: 320424-42-8
• Molecular Formula: C₈H₁₅NO₄S
• Molecular Weight: 221.277
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID10377114
• Wikidata: Q82166184
• ChEMBL ID: CHEMBL1353955
• Mol file: 320424-42-8.mol

Synonyms:320424-42-8;methyl 1-(methylsulfonyl)-4-piperidinecarboxylate;methyl 1-(methylsulfonyl)piperidine-4-carboxylate;methyl 1-methylsulfonylpiperidine-4-carboxylate;MFCD01568780;methyl 1-methanesulfonylpiperidine-4-carboxylate;Methyl1-(methylsulfonyl)piperidine-4-carboxylate;MLS000062264;SCHEMBL7990045;CHEMBL1353955;DTXSID10377114;HMS1683D14;HMS2389A11;VMA42442;STK042996;AKOS000650055;SMR000071073;CS-0302052;2Y-0706;AS-871/40797813;Methyl 1-(methylsulphonyl)piperidine-4-carboxylate;J-521733;Z133655928

Chemical Property of Methyl 1-(methylsulfonyl)-4-piperidinecarboxylate

Chemical Property:

• Boiling Point: 320.3±52.0 °C(Predicted)
• PKA: -4.36±0.40(Predicted)
• PSA: 72.06000
• Density: 1.28±0.1 g/cm3(Predicted)
• LogP: 0.84970
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 221.07217913
• Heavy Atom Count: 14
• Complexity: 298

Purity/Quality:

98%+ ^*data from raw suppliers

methyl1-(methylsulfonyl)-4-piperidinecarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CCN(CC1)S(=O)(=O)C

Technology Process of Methyl 1-(methylsulfonyl)-4-piperidinecarboxylate

There total 2 articles about Methyl 1-(methylsulfonyl)-4-piperidinecarboxylate 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: 27.0%

isonipecotic acid methyl ester (2971-79-1) + 3,3,3-Trifluoropropanol (2240-88-2) + methanesulfonyl chloride (124-63-0) → methyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate + methyl 1-(methylsulfonyl)piperidine-4-carboxylate (320424-42-8)

Guidance literature:

3,3,3-Trifluoropropanol; methanesulfonyl chloride; With pyridine;

isonipecotic acid methyl ester; for 72h;

DOI:10.1016/j.bmc.2013.08.061

Reference yield: 22.0%

isonipecotic acid methyl ester (2971-79-1) + methanesulfonyl chloride (124-63-0) → methyl 1-(methylsulfonyl)piperidine-4-carboxylate (320424-42-8)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃;

Reference yield: 66.0%

methyl 1-(methylsulfonyl)piperidine-4-carboxylate (320424-42-8) → 1-(Methylsulfonyl)-4-piperidine Carboxylic Acid (280772-00-1)

Guidance literature:

With methanol; sodium hydroxide; at 20 ℃;

upstream raw materials:

isonipecotic acid methyl ester

3,3,3-Trifluoropropanol

methanesulfonyl chloride

Downstream raw materials:

1-(Methylsulfonyl)-4-piperidine Carboxylic Acid

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