5-Chloro-2-(piperazin-1-YL)pyrimidine

Base Information

• Chemical Name: 5-Chloro-2-(piperazin-1-YL)pyrimidine
• CAS No.: 59215-40-6
• Molecular Formula: C8H11ClN4
• Molecular Weight: 198.655
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40576835
• Wikidata: Q82466705
• Mol file: 59215-40-6.mol

Synonyms:5-CHLORO-2-(PIPERAZIN-1-YL)PYRIMIDINE;59215-40-6;5-chloro-2-piperazin-1-ylpyrimidine;5-CHLORO-2-(1-PIPERAZINYL)-PYRIMIDINE;SCHEMBL4476809;DTXSID40576835;AKOS006305777;AB58668;F70301;EN300-3055195;A832209

Chemical Property of 5-Chloro-2-(piperazin-1-YL)pyrimidine

Chemical Property:

• Boiling Point: 362.7 °C at 760 mmHg
• PKA: 8.54±0.10(Predicted)
• Flash Point: 173.1 °C
• PSA: 41.05000
• Density: 1.272 g/cm³
• LogP: 0.93340
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 198.0672241
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

98%min ^*data from raw suppliers

5-Chloro-2-(piperazin-1-yl)pyrimidine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C2=NC=C(C=N2)Cl

Technology Process of 5-Chloro-2-(piperazin-1-YL)pyrimidine

There total 2 articles about 5-Chloro-2-(piperazin-1-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: 77.0%

4-(5-chloro-pyrimidin-2-yl)-piperazine-1-carboxylic acid ethyl ester (99931-84-7) → 5-chloro-2-(1-piperazinyl)-pyrimidine (59215-40-6)

Guidance literature:

With hydrogenchloride; Heating;

DOI:10.1021/jm00102a002

Reference yield:

ethyl 4-(2-pirymidinyl)-1-piperazinecarboxylate (99931-83-6) → 5-chloro-2-(1-piperazinyl)-pyrimidine (59215-40-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 54 percent / 1N aq. HCl, Cl₂ / 0.25 h

2: 77 percent / 6N aq. HCl / Heating

With hydrogenchloride; chlorine;

DOI:10.1021/jm00102a002

Reference yield: 57.0%

α-Bromo-ω-(2-methoxy-4-nitrophenoxy)ethane (2506-46-9) + 5-chloro-2-(1-piperazinyl)-pyrimidine (59215-40-6) → 5-chloro-2-(4-(2-(2-methoxy-4-nitrophenoxy)ethyl)piperazin-1-yl)pyrimidine

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; for 0.5h; Heating;

DOI:10.1016/j.bmc.2018.01.015

upstream raw materials:

4-(5-chloro-pyrimidin-2-yl)-piperazine-1-carboxylic acid ethyl ester

ethyl 4-(2-pirymidinyl)-1-piperazinecarboxylate

Downstream raw materials:

4-[4-(5-Chloro-pyrimidin-2-yl)-piperazin-1-yl]-1-(4-fluoro-phenyl)-butan-1-one