(s)-1-Boc-piperidine-3-carboxylic acid

Base Information

• Chemical Name: (s)-1-Boc-piperidine-3-carboxylic acid
• CAS No.: 88495-54-9
• Molecular Formula: C11H19NO4
• Molecular Weight: 229.276
• Hs Code.: 29333990
• European Community (EC) Number: 635-832-9
• Nikkaji Number: J1.216.155G
• Mol file: 88495-54-9.mol

Synonyms:88495-54-9;(s)-1-boc-piperidine-3-carboxylic acid;(s)-1-(tert-butoxycarbonyl)piperidine-3-carboxylic acid;(S)-N-Boc-Piperidine-3-carboxylic acid;l-1-boc-nipecotic acid;(S)-Boc-nipecotic acid;boc-(s)-nipecotic acid;(3S)-1-[(tert-butoxy)carbonyl]piperidine-3-carboxylic acid;(S)-N-BOC-NIPECOTIC ACID;MFCD02179172;(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;boc-(s)-nip-oh;BOC-PIC(3)-OH;(S)-1-Boc-Nipecotic acid;SCHEMBL40056;(s)-piperidine-1,3-dicarboxylic acid 1-tert-butyl ester;(3S)-1-(tert-butoxycarbonyl)piperidine-3-carboxylic acid;NXILIHONWRXHFA-QMMMGPOBSA-N;AKOS007930568;AKOS015919853;AC-7702;CS-W002899;HY-W002899;(S)-1-BOC piperidine-3-carboxylic acid;AS-14277;TS-00597;(S)-N-(tert-butoxycarbonyl)nipecotic acid;AM20120268;BB 0260103;(S)-1-Boc-piperidine-3-carboxylic acid, 97%;EN300-111860;Q-103066;(3S)-1-tert-butoxycarbonylpiperidine-3-carboxylic acid;1-(tert-Butoxycarbonyl)piperidine-3(S)-carboxylic acid;(3s)-1-(tert-butoxycarbonyl) piperidine-3-carboxylic acid;(3s)-1-(tert-butoxycarbonyl)-3-piperidinecarboxylic acid;(S)-1-(tert-Butoxycarbonyl) piperidine-3-carboxylic acid;(3S)-Piperidine-1,3beta-dicarboxylic acid 1-tert-butyl ester;(3S)-1-{[(1,1-Dimethylethyl)oxy]carbonyl}-3-piperidinecarboxylic acid;(S)-1-(tert-butoxycarbonyl)piperidine-3-carboxylic acid;(S)-N-Boc-piperidine-3-carboxylicacid;L-1-BOC-NIPECOTIC ACID

Chemical Property of (s)-1-Boc-piperidine-3-carboxylic acid

Chemical Property:

• Appearance/Colour: White solid
• Vapor Pressure: 6.15E-06mmHg at 25°C
• Melting Point: 159-162 °C(lit.)
• Refractive Index: 1.496
• Boiling Point: 353.2 °C at 760 mmHg
• PKA: 4.49±0.20(Predicted)
• Flash Point: 167.4 °C
• PSA: 66.84000
• Density: 1.164 g/cm³
• LogP: 1.65600
• Storage Temp.: Store at 0-5°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 229.13140809
• Heavy Atom Count: 16
• Complexity: 282

Purity/Quality:

99.9% ^*data from raw suppliers

Boc-DL-nipecotic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, N
• Hazard Codes: Xi,N
• Statements: 36/37/38-50
• Safety Statements: 26-36-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCCC(C1)C(=O)O
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCC[C@@H](C1)C(=O)O
• Uses: 1-Boc-L-nipecotic acid is used as an organic chemical synthesis intermediate.

Technology Process of (s)-1-Boc-piperidine-3-carboxylic acid

There total 35 articles about (s)-1-Boc-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: 100.0%

ethyl N-(t-butyloxycarbonyl)nipecotate (148672-74-6,130250-54-3) → N-(tert-butyloxycarbonyl)nipecotic acid (71381-75-4,88495-54-9,84358-12-3)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; for 48h; Ambient temperature;

DOI:10.1016/S0040-4020(01)87199-4

Reference yield: 100.0%

(S)-(+)-3-piperidinecarboxylic acid hydrochloride (851956-01-9) → (3S)-1-(tert-butoxycarbonyl)piperidine-3-carboxylic acid (88495-54-9)

Guidance literature:

With di-tert-butyl dicarbonate; triethylamine; In methanol; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1021/jm7012979

Reference yield: 98.0%

di-tert-butyl dicarbonate (24424-99-5) + nipecotic acid (498-95-3,262853-93-0) → N-(tert-butyloxycarbonyl)nipecotic acid (71381-75-4,88495-54-9,84358-12-3)

Guidance literature:

DOI:10.1016/j.bmcl.2007.01.094

upstream raw materials:

ethyl N-(t-butyloxycarbonyl)nipecotate

2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile

nipecotic acid

di-tert-butyl dicarbonate

Downstream raw materials:

tert-butyl 3-carbamoylpiperidine-1-carboxylate

N-(t-butyloxycarbonyl)piperidine-3-carboxylic acid N-methylanilide

1,1-dimethylethyl 3-[(phenylamino)carbonyl]-1-piperidinecarboxylate

1-(tert-butyl) 3-methyl piperidine-1,3-dicarboxylate

Refernces

• 1、 -. "NAPHTHO[2,1 -D]THIAZOLE DERIVATIVES, COMPOSITIONS THEREOF AND METHODS OF TREATING DISORDERS". Paragraph 0115. . Retrieved 2021/05/29.
• 2、 -. "PYRAZOLOPYRIDAZINE DERIVATIVES, PREPARATION METHOD THEREOF AND COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING THE SAME". Paragraph 0245-0246; 0251-0253. . Retrieved 2020/11/14.