4-Chloro-5-nitro-6-piperidin-1-ylpyrimidine

Base Information

• Chemical Name: 4-Chloro-5-nitro-6-piperidin-1-ylpyrimidine
• CAS No.: 25710-23-0
• Molecular Formula: C9H11ClN4O2
• Molecular Weight: 242.66
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90397133
• Mol file: 25710-23-0.mol

Synonyms:25710-23-0;4-chloro-5-nitro-6-piperidin-1-ylpyrimidine;4-chloro-5-nitro-6-(piperidin-1-yl)pyrimidine;Oprea1_343037;DTXSID90397133;STK832892;IFLAB-BB F2124-0139;AKOS001815462;CS-0360363;FT-0765571;SR-01000094462;SR-01000094462-1

Chemical Property of 4-Chloro-5-nitro-6-piperidin-1-ylpyrimidine

Chemical Property:

• Boiling Point: 421.3±45.0 °C(Predicted)
• PKA: 0.25±0.35(Predicted)
• PSA: 74.84000
• Density: 1.411±0.06 g/cm3(Predicted)
• LogP: 2.61670
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 242.0570533
• Heavy Atom Count: 16
• Complexity: 254

Purity/Quality:

99% ^*data from raw suppliers

4-CHLORO-5-NITRO-6-PIPERIDIN-1-YLPYRIMIDINE 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)C2=C(C(=NC=N2)Cl)[N+](=O)[O-]

Technology Process of 4-Chloro-5-nitro-6-piperidin-1-ylpyrimidine

There total 3 articles about 4-Chloro-5-nitro-6-piperidin-1-ylpyrimidine 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: 55.0%

piperidine (110-89-4) + 4,6-dichloro-5-nitropyrimidine (4316-93-2) → 4-chloro-5-nitro-6-(piperidin-1-yl)pyrimidine (25710-23-0)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 ℃; for 0.5h;

DOI:10.1016/j.bmc.2020.115890

Reference yield: 55.0%

→ 4-chloro-5-nitro-6-(piperidin-1-yl)pyrimidine (25710-23-0)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 ℃; for 0.5h;

Reference yield:

4,6-dichloro-5-nitropyrimidine (4316-93-2) + piperdinium acetate (4540-33-4) → 4-chloro-5-nitro-6-(piperidin-1-yl)pyrimidine (25710-23-0)

Guidance literature:

In 1,4-dioxane; at 20 ℃; for 3h; Cooling;

DOI:10.1021/acsmedchemlett.1c00038

upstream raw materials:

piperidine

4,6-dichloro-5-nitropyrimidine

piperdinium acetate

Downstream raw materials:

1-(4-Methoxy-phenyl)-2-methyl-5-(5-nitro-6-piperidin-1-yl-pyrimidin-4-yloxy)-1H-indole-3-carboxylic acid ethyl ester

9-benzyl-6-piperidin-1-yl-7,9-dihydro-purin-8-one

[benzyl-(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)-amino]-acetic acid methyl ester

2-Diethylaminomethyl-1-(4-methoxy-phenyl)-5-(5-nitro-6-piperidin-1-yl-pyrimidin-4-yloxy)-1H-indole-3-carboxylic acid ethyl ester