3-Pyridin-3-yl-piperazine-1-carboxylic acid tert-butyl ester

Base Information

• Chemical Name: 3-Pyridin-3-yl-piperazine-1-carboxylic acid tert-butyl ester
• CAS No.: 886771-02-4
• Molecular Formula: C₁₄H₂₁N₃O₂
• Molecular Weight: 263.34
• Hs Code.: 2933990090
• European Community (EC) Number: 830-604-7
• DSSTox Substance ID: DTXSID30407301
• Mol file: 886771-02-4.mol

Synonyms:886771-02-4;3-pyridin-3-yl-piperazine-1-carboxylic acid tert-butyl ester;tert-butyl 3-(pyridin-3-yl)piperazine-1-carboxylate;Tert-butyl 3-pyridin-3-ylpiperazine-1-carboxylate;tert-Butyl3-(pyridin-3-yl)piperazine-1-carboxylate;SCHEMBL23982003;DTXSID30407301;AR1454;MFCD03840083;AKOS016344335;AB16379;AB46910;AB46913;AS-45124;BB 0261165;CS-0171808;FT-0746745;EN300-201610;Z1227765427;(R)-3-PYRIDIN-3-YL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;(S)-3-PYRIDIN-3-YL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

Chemical Property of 3-Pyridin-3-yl-piperazine-1-carboxylic acid tert-butyl ester

Chemical Property:

• PSA: 54.46000
• LogP: 2.22970
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 263.16337692
• Heavy Atom Count: 19
• Complexity: 314

Purity/Quality:

98%min ^*data from raw suppliers

tert-Butyl3-(pyridin-3-yl)piperazine-1-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCNC(C1)C2=CN=CC=C2

Technology Process of 3-Pyridin-3-yl-piperazine-1-carboxylic acid tert-butyl ester

There total 3 articles about 3-Pyridin-3-yl-piperazine-1-carboxylic acid tert-butyl ester 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:

3-pyridinecarboxaldehyde (500-22-1) → C14H21N3O2 (886771-02-4)

Guidance literature:

Multi-step reaction with 2 steps

1: dichloromethane / 50 °C / Inert atmosphere; Automated synthesizer

2: copper(II) bis(trifluoromethanesulfonate); 2,6-dimethylpyridinium trifluoromethanesulfonate / 3 h / 40 °C / Inert atmosphere; Automated synthesizer

With 2,6-dimethylpyridinium trifluoromethanesulfonate; copper(II) bis(trifluoromethanesulfonate); In dichloromethane;

DOI:10.1039/d1sc01048d

Reference yield:

C26H47N3O2Sn → C14H21N3O2 (886771-02-4)

Guidance literature:

With 2,6-dimethylpyridinium trifluoromethanesulfonate; copper(II) bis(trifluoromethanesulfonate); at 40 ℃; for 3h; Inert atmosphere; Automated synthesizer;

DOI:10.1039/d1sc01048d

Reference yield:

3-pyridinecarboxaldehyde (500-22-1) + tert-butyl (2-azidoethyl)((tributylstannyl)methyl)carbamate → C14H21N3O2 (886771-02-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: polymeric triphenylphosphine

1.2: 50 °C / Inert atmosphere; Automated synthesizer

2.1: copper(II) bis(trifluoromethanesulfonate); 2,6-dimethylpyridinium trifluoromethanesulfonate / 3 h / 40 °C / Inert atmosphere; Automated synthesizer

With 2,6-dimethylpyridinium trifluoromethanesulfonate; copper(II) bis(trifluoromethanesulfonate);

DOI:10.1039/d1sc01048d

upstream raw materials:

3-pyridinecarboxaldehyde

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