(S)-Piperidine-3-carboxylic acid

Base Information

• Chemical Name: (S)-Piperidine-3-carboxylic acid
• CAS No.: 59045-82-8
• Molecular Formula: C₆H₁₁NO₂
• Molecular Weight: 129.159
• Hs Code.: 29339900
• European Community (EC) Number: 628-683-6
• UNII: 2635N2PS4Q
• Nikkaji Number: J423.228C
• Wikidata: Q27225702
• Metabolomics Workbench ID: 66925
• ChEMBL ID: CHEMBL77484
• Mol file: 59045-82-8.mol

Synonyms:(S)-Piperidine-3-carboxylic acid;59045-82-8;(S)-(+)-Nipecotic acid;(S)-nipecotic acid;(3S)-piperidine-3-carboxylic acid;(S)-(+)-3-Piperidinecarboxylic acid;(+)-nipecotic acid;(3S)-nipecotic acid;S(+)-nipecotic acid;L(+)-NIPECOTIC ACID;Nipecotic acid, S(+)-;(S)-hexahydronicotinic acid;(+)-hexahydronicotinic acid;(3S)-hexahydronicotinic acid;3-Piperidinecarboxylic acid, (3S)-;L-BETA-HOMOPROLINE;(3S)-3-piperidinecarboxylic acid;H-BETA-HOPRO-OH;(3S)-(+)-piperidine-3-carboxylic acid;CHEBI:222169;L-PIPERIDINE-3-CARBOXYLIC ACID;(S)-3-PIPERIDINECARBOXYLIC ACID;J423.228C;3-Piperidinecarboxylic acid, (S)-;(S)-(+)-PIPERIDINE-3-CARBOXYLIC ACID;MFCD01630807;CHEMBL77484;UNII-2635N2PS4Q;(+)-piperidine-3-carboxylic acid;2635N2PS4Q;(S)-(+)-Nipecoticacid;D-piperidine-3-carboxylic acid;Tocris-0236;S-(+)-nipecotic acid;D03IWW;D0D2EF;Lopac-211672;NIPECOTIC ACID, S-;SCHEMBL254683;AMY4228;piperidine-3-(S)-carboxylic acid;XJLSEXAGTJCILF-YFKPBYRVSA-N;NIPECOTIC ACID, S-(+)-;BDBM50020888;AKOS006238145;AKOS015854507;AC-6184;CS-W013451;DB08849;DS-1478;NCGC00014992-01;NCGC00014992-02;NCGC00024510-01;A8322;N0678;(S)-(+)-3-Piperidinecarboxylic acid, 97%;Q-103036;Q27225702;(S)-piperidine-3-carboxylic acid;F0001-2356

Chemical Property of (S)-Piperidine-3-carboxylic acid

Chemical Property:

• Melting Point: 254 °C (dec.)
• Refractive Index: 4.5 ° (C=5, H2O)
• Boiling Point: 265.8 °C at 760 mmHg
• PKA: 3.88±0.20(Predicted)
• Flash Point: 114.5 °C
• PSA: 49.33000
• Density: 1.125 g/cm³
• LogP: 0.39940
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Water Solubility.: almost transparency in Water
• XLogP3: -2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 129.078978594
• Heavy Atom Count: 9
• Complexity: 114

Purity/Quality:

≥99% ^*data from raw suppliers

(S)-Piperidine-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (S)-Piperidine-3-carboxylic acid

There total 31 articles about (S)-Piperidine-3-carboxylic acid 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: 99.0%

guvacine (498-96-4) → (R)-nipecotic acid (498-95-3,25137-00-2,59045-82-8,60252-41-7,262853-93-0)

Guidance literature:

With C₆₃H₇₈IrNOP⁽²⁺⁾*C₃₂H₁₂BF₂₄^(1-); hydrogen; In methanol; at 60 ℃; for 12h; under 4560.31 Torr; enantioselective reaction; Autoclave;

DOI:10.1002/anie.201301341

Reference yield: 37.0%

(3S)-1-(tert-butoxycarbonyl)piperidine-3-carboxylic acid (88495-54-9) → (S)-nipecotic acid (498-95-3,25137-00-2,59045-82-8,60252-41-7,262853-93-0)

Guidance literature:

(3S)-1-(tert-butoxycarbonyl)piperidine-3-carboxylic acid; With methanesulfonic acid; In dichloromethane; at 25 ℃; for 16h;

With triethylamine; In dichloromethane; at 25 ℃; for 0.5h;

Reference yield:

(R)-1-Boc-nipecotic acid (163438-09-3) → (R)-nipecotic acid (498-95-3,25137-00-2,59045-82-8,60252-41-7,262853-93-0)

Guidance literature:

With hydrogenchloride; In dichloromethane; at 30 ℃; for 2h; Solvent;

upstream raw materials:

(R)-ethyl nipecotate

nipecotic acid

(-)-(R)-N-tert-butyloxycarbonyl-1,2,3,6-tetrahydropyridin-3-carboxylic acid

3-pyridinecarboxylic acid ethyl ester

Downstream raw materials:

(R)-N-(2-(3,3-Bis(4-Chlorophenyl)-2-propen-1-yloxy)-ethyl)-3-piperidinecarboxylic acid ethyl ester

(R)-tert-butyl 3-(phenylcarbamoyl)piperidine-1-carboxylate

(S)-1-(4-(hexyloxy)benzyl)piperidine-3-carboxylic acid

(3S)-1-[5-(3-{[2-(difluoromethoxy)phenyl]methyl}-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrimidin-2-yl]piperidine-3-carboxylic acid