(S)-piperidine-3-carboxamide

Base Information

• Chemical Name: (S)-piperidine-3-carboxamide
• CAS No.: 88495-55-0
• Molecular Formula: C6H12N2O
• Molecular Weight: 128.174
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID801308526
• Wikidata: Q27127085
• Metabolomics Workbench ID: 60989
• Mol file: 88495-55-0.mol

Synonyms:88495-55-0;(S)-piperidine-3-carboxamide;(3S)-piperidine-3-carboxamide;(S)-Piperidine-3-carboxylic acid amide;(s)-nipecotamide;(S)-nipecotic acid amide;(3S)-hexahydronicotinamide;(3S)-nipecotic acid amide;(3s)-3-piperidinecarboxamide;MFCD17015911;SCHEMBL1405881;SCHEMBL21700184;CHEBI:60115;DTXSID801308526;(S)-Piperidine-3-carboxylicacidamide;CCG-36662;AKOS017407365;AS-39190;TS-01686;CS-0055165;EN300-263730;Q27127085

Chemical Property of (S)-piperidine-3-carboxamide

Chemical Property:

• Boiling Point: 311.7±31.0 °C(Predicted)
• PKA: 16.50±0.20(Predicted)
• PSA: 55.12000
• Density: 1.060±0.06 g/cm3(Predicted)
• LogP: 0.50040
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 128.094963011
• Heavy Atom Count: 9
• Complexity: 114

Purity/Quality:

NLT 98% ^*data from raw suppliers

(3S)-3-Piperidinecarboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CNC1)C(=O)N
• Isomeric SMILES: C1C[C@@H](CNC1)C(=O)N

Technology Process of (S)-piperidine-3-carboxamide

There total 6 articles about (S)-piperidine-3-carboxamide 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:

nipecotamide (4138-26-5,168749-30-2) → (S)-piperidine-3-carboxamide (88495-55-0,168749-30-2) + (R)-piperidine-3-carboxamide (168749-30-2) + (R)-nipecotic acid (498-95-3,25137-00-2,59045-82-8,60252-41-7,262853-93-0) + (S)-nipecotic acid (498-95-3,25137-00-2,59045-82-8,60252-41-7,262853-93-0)

Guidance literature:

With amidase from Cupriavidus necator JMP₁₃₄; water; In aq. phosphate buffer; at 30 ℃; pH=7; Reagent/catalyst; stereoselective reaction; Enzymatic reaction;

DOI:10.1016/j.molcatb.2014.08.016

Reference yield:

nipecotamide (4138-26-5,168749-30-2) → (S)-piperidine-3-carboxamide (88495-55-0,168749-30-2) + (R)-nipecotic acid (498-95-3,25137-00-2,59045-82-8,60252-41-7,262853-93-0) + (S)-nipecotic acid (498-95-3,25137-00-2,59045-82-8,60252-41-7,262853-93-0)

Guidance literature:

With Cupriavidus sp. KNK-J₉₁₅ strain (FERM BP-10739); at 30 ℃; for 35h; pH=7; Product distribution / selectivity; Aqueous phosphate buffer; Enzymatic reaction;

Reference yield:

1,4,5,6-tetrahydropyridine-3-carboxamide (7032-11-3) → (S)-piperidine-3-carboxamide (88495-55-0,168749-30-2)

Guidance literature:

With (S)-2,2′-bis(diphenylphosphino)-1,1′-binaphthyl; hydrogen; palladium diacetate; benzenesulfonic acid; In dichloromethane; at 50 ℃; for 20h; under 7500.75 Torr;

upstream raw materials:

nipecotamide

1,4,5,6-tetrahydropyridine-3-carboxamide

nicotinamide

Refernces

• 1、 -. "PROCESS FOR PRODUCING HETEROCYCLIC COMPOUND". Paragraph 0480-0490. . Retrieved 2017/04/11.
• 2、 -. "METHOD FOR PRODUCING OPTICALLY ACTIVE 3-AMINOPIPERIDINE OR SALT THEREOF". Page/Page column 15. . Retrieved 2010/05/13.