2-(Piperidin-4-YL)pyrimidine

Base Information

• Chemical Name: 2-(Piperidin-4-YL)pyrimidine
• CAS No.: 151389-25-2
• Molecular Formula: C9H13N3
• Molecular Weight: 163.222
• DSSTox Substance ID: DTXSID90573551
• Nikkaji Number: J3.609.673J
• Wikidata: Q82462295
• Mol file: 151389-25-2.mol

Synonyms:2-(PIPERIDIN-4-YL)PYRIMIDINE;151389-25-2;2-PIPERIDIN-4-YLPYRIMIDINE;4-(2-PYRIMIDINYL)PIPERIDINE;Pyrimidine, 2-(4-piperidinyl)-;4-(2-pyrimidyl)-piperidine;SCHEMBL615556;SCHEMBL19158806;DTXSID90573551;OLYYSYUUMYTBLJ-UHFFFAOYSA-N;BGA38925;MFCD09999153;AKOS012621869;AB55831;CS-0446980;D87980;EN300-388022;F2147-2470

Chemical Property of 2-(Piperidin-4-YL)pyrimidine

Chemical Property:

• Vapor Pressure: 0.006mmHg at 25°C
• Refractive Index: 1.526
• Boiling Point: 271.867 °C at 760 mmHg
• PKA: 9.97±0.10(Predicted)
• Flash Point: 118.221 °C
• PSA: 37.81000
• Density: 1.066 g/cm³
• LogP: 1.27240
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 163.110947427
• Heavy Atom Count: 12
• Complexity: 126

Purity/Quality:

98% ^*data from raw suppliers

2-(4-Piperidinyl)pyrimidine AldrichCPR ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC1C2=NC=CC=N2

Technology Process of 2-(Piperidin-4-YL)pyrimidine

There total 5 articles about 2-(Piperidin-4-YL)pyrimidine 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: 95.0%

tert-butyl 4-(pyrimidin-2-yl)piperidine-1-carboxylate (182416-05-3) → 2-(paciperidin-4-yl)pyrimidine (151389-25-2)

Guidance literature:

With trifluoroacetic acid; In dichloromethane;

DOI:10.1016/j.bmcl.2005.04.059

Reference yield: 82.0%

→ 2-(paciperidin-4-yl)pyrimidine (151389-25-2)

Guidance literature:

Reference yield:

N-t-butoxycarbonyl-4-(2-pyrimidinyl)-1,2,3,6-tetrahydropyridine (182416-03-1) → 2-(paciperidin-4-yl)pyrimidine (151389-25-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 52 percent / H₂ / Pd-C / ethanol / 48 h

2: 95 percent / trifluoroacetic acid / CH₂Cl₂

With hydrogen; trifluoroacetic acid; palladium on activated charcoal; In ethanol; dichloromethane;

DOI:10.1016/j.bmc.2005.10.046

upstream raw materials:

tert-butyl 4-(pyrimidin-2-yl)piperidine-1-carboxylate

N-t-butoxycarbonyl-4-(2-pyrimidinyl)-1,2,3,6-tetrahydropyridine

4-hydroxy-4-pyrimidin-2-yl-piperidine-1-carboxylic acid tert-butyl ester

N-tert-butyloxycarbonylpiperidin-4-one