1-Boc-piperidine-3-carboxylic acid

Base Information

• Chemical Name: 1-Boc-piperidine-3-carboxylic acid
• CAS No.: 71381-75-4
• Molecular Formula: C₁₁H₁₉NO₄
• Molecular Weight: 229.276
• European Community (EC) Number: 629-172-0
• DSSTox Substance ID: DTXSID60991708
• Nikkaji Number: J1.891.904D
• Mol file: 71381-75-4.mol

Synonyms:84358-12-3;1-Boc-piperidine-3-carboxylic acid;1-(tert-butoxycarbonyl)piperidine-3-carboxylic acid;71381-75-4;1-Boc-3-piperidinecarboxylic Acid;n-boc-nipecotic acid;Boc-DL-Nip-OH;1-(tert-Butoxycarbonyl)-3-piperidinecarboxylic acid;n-boc-piperidine-3-carboxylic acid;1-tert-Butoxycarbonylpiperidine-3-carboxylic acid;MFCD00673775;1-(tert-Butoxycarbonyl)nipecotic Acid;1-[(tert-butoxy)carbonyl]piperidine-3-carboxylic acid;1-n-boc-piperidine-3-carboxylic acid;944280-72-2;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;n-boc-3-piperidinecarboxylic acid;1,3-Piperidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (A+/-)-;n-boc-dl-nipecotic acid;1-[[(1,1-dimethylethyl)oxy]carbonyl]-3-piperidinecarboxylic acid;1-{[(1,1-dimethylethyl)oxy]carbonyl}-3-piperidinecarboxylic acid;1-N-Boc-Piperidine-3-carboxylicacid;n-boc nipecotic acid;1-Boc-nipecotic Acid;BOC-NIP-OH;BOC-L-NIPECOTIC ACID;SCHEMBL40057;piperidine-1,3-dicarboxylic acid 1-tert-butyl ester;F2158-1186;N-t-Butoxycarbonylnipecotic acid;DTXSID60991708;(R,S)-BOC-NIPECOTIC ACID;NXILIHONWRXHFA-UHFFFAOYSA-N;HMS1744J06;1-tert-butoxycarbonylnipecotic acid;BCP26504;BCP26810;BCP27214;1-BOC-3-piperidine carboxylic acid;1-tert-butoxycarbonyl nipecotic acid;STK504260;AKOS000199467;AKOS016338185;AC-2182;CS-W019952;N-(tert-butyloxycarbonyl)nipecotic acid;PB19887;PB34014;SB10011;SB10241;SS-3449;1-Boc-3-piperidinecarboxylic acidN-Boc;rac 1-boc-piperidine-3-carboxylic acid;(+/-)-N-t-butoxycarbonyl-nipecotic acid;BP-12338;SY007910;SY016024;SY017682;AM20110206;B3376;FT-0601669;FT-0642093;FT-0643578;FT-0655850;N-(TERT-BUTOXYCARBONYL)NIPECOTIC ACID;(R)-Boc-Nip-OH, >=97.0% (HPLC);1-t-butoxycarbonyl-3-piperidinecarboxylic acid;EN300-21759;N-t-butoxycarbonylpiperidine-3-carboxylic acid;piperidine-3-carboxylic acid, n-boc protected;1-(t-butoxycarbonyl)-3-piperidinecarboxylic acid;N-tert-butoxycarbonyl-3-piperidinecarboxylic acid;1-tert-Butoxycarbonyl-piperidine-3-carboxylic acid;A837166;AK-105/40837928;Boc-Nip-OH;Boc-(S)-piperidine-3-carboxylic acid;J-504379;N-(tert-butoxycarbonyl)piperidine-3-carboxylic acid;piperidine-1,3-dicarboxyli acid 1-tert butyl ester;piperidine-1,3-dicarboxylic acid 1-tert butyl ester;piperidine-1,3-dicarboxylic acid-1-tert-butyl ester;Q-103057;rac-N-(t-butoxycarbonyl)piperidine-3-carboxylic acid;1-(tert-butoxycarbonyl) piperidine-3-carboxylic acid;1-(tert-butoxycarbonyl)-3-piperidine carboxylic acid;1-(tert-butoxycarbonyl)-3-piperidine-carboxylic acid;1-(tert-Butoxycarbonyl)-piperidine-3-carboxylic acid;(RS)1-tert-butyloxycarbonyl-3-piperidine carboxylic acid;Z111883478;(RS)-piperidine-1,3-dicarboxylic acid 1-tert.-butyl ester;1-(tert-Butoxycarbonyl)-3-piperidinecarboxylic acid, 98%

Chemical Property of 1-Boc-piperidine-3-carboxylic acid

Chemical Property:

• Melting Point: 159-162 °C(lit.)
• PSA: 66.84000
• LogP: 1.65600
• 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% ^*data from raw suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCCC(C1)C(=O)O

Technology Process of 1-Boc-piperidine-3-carboxylic acid

There total 13 articles about 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: 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

Reference yield: 81.0%

2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile (58632-95-4) + nipecotic acid (498-95-3,262853-93-0) → N-(tert-butyloxycarbonyl)nipecotic acid (71381-75-4,88495-54-9,84358-12-3)

Guidance literature:

With triethylamine; In water; acetone;

DOI:10.1002/jps.2600711108

upstream raw materials:

ethyl N-(t-butyloxycarbonyl)nipecotate

2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile

nipecotic acid

di-tert-butyl dicarbonate

Downstream raw materials:

3-(3-hexyloxy-phenylcarbamoyl)-piperidine-1-carboxylic acid tert-butyl ester

3-(3-undecyloxy-phenylcarbamoyl)-piperidine-1-carboxylic acid tert-butyl ester

(±)-tert-butyl 3-(methoxy(methyl)carbamoyl)piperidine-1-carboxylate

piperidine-1,3-dicarboxylic acid 3-benzyl ester 1-tert-butyl ester

Refernces

• 1、 Bonina, Francesco Paolo,Arenare, Loredana,Palagiano, Francesco,Saija, Antonella,Nava, Felice,Trombetta, Domenico,De Caprariis, Paolo. "Synthesis, stability, and pharmacological evaluation of nipecotic acid prodrugs". . p. 561 - 567. Retrieved 1999.
• 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.