Tert-butyl 4-(2-aminopyridin-3-yl)piperazine-1-carboxylate

Base Information

• Chemical Name: Tert-butyl 4-(2-aminopyridin-3-yl)piperazine-1-carboxylate
• CAS No.: 1023594-49-1
• Molecular Formula: C₁₄H₂₂N₄O₂
• Molecular Weight: 278.354
• European Community (EC) Number: 844-048-8
• Mol file: 1023594-49-1.mol

Synonyms:1023594-49-1;tert-butyl 4-(2-aminopyridin-3-yl)piperazine-1-carboxylate;1-Piperazinecarboxylic acid, 4-(2-aMino-3-pyridinyl)-, 1,1-diMethylethyl ester;SCHEMBL14206364;EN300-2921472;1-Piperazinecarboxylic acid,4-(2-aMino-3-pyridinyl)-,1,1-diMethylethyl ester

Chemical Property of Tert-butyl 4-(2-aminopyridin-3-yl)piperazine-1-carboxylate

Chemical Property:

• Boiling Point: 428.1±45.0 °C(Predicted)
• PKA: 7.58±0.36(Predicted)
• Density: 1.182±0.06 g/cm3(Predicted)
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 278.17427596
• Heavy Atom Count: 20
• Complexity: 335

Purity/Quality:

≥95% ^*data from raw suppliers

CID53235608 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2=C(N=CC=C2)N

Technology Process of Tert-butyl 4-(2-aminopyridin-3-yl)piperazine-1-carboxylate

There total 2 articles about Tert-butyl 4-(2-aminopyridin-3-yl)piperazine-1-carboxylate 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: 65.0%

2-Amino-3-bromopyridine (13534-99-1) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → tert-butyl 4-(2-aminopyridin-3-yl)piperazine-1-carboxylate (1023594-49-1)

Guidance literature:

With chloro(2-dicyclohexylphosphino-2′,6′-di-i-propoxy-1,1′-biphenyl)(2′-amino-1,1′-biphenyl-2-yl)-palladium(II); lithium hexamethyldisilazane; In tetrahydrofuran; at 65 ℃; for 12h; Inert atmosphere;

DOI:10.1021/ol200371n

Reference yield:

3-iodo-2-aminopyridine (104830-06-0) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → tert-butyl 4-(2-aminopyridin-3-yl)piperazine-1-carboxylate (1023594-49-1)

Guidance literature:

With potassium phosphate; ethylene glycol; copper(l) iodide; In isopropyl alcohol; at 95 ℃; for 15h;

upstream raw materials:

3-iodo-2-aminopyridine

1-t-Butoxycarbonylpiperazine

2-Amino-3-bromopyridine