4-(Piperazin-1-yl)-2,6-di(pyrrolidin-1-yl)pyrimidine

Base Information

• Chemical Name: 4-(Piperazin-1-yl)-2,6-di(pyrrolidin-1-yl)pyrimidine
• CAS No.: 111641-17-9
• Molecular Formula: C16H26 N6
• Molecular Weight: 302.423
• Hs Code.: 2933990090
• ChEMBL ID: CHEMBL3905486
• DSSTox Substance ID: DTXSID70561916
• Nikkaji Number: J400.536H
• Pharos Ligand ID: CTJWMP1SXZGG
• Wikidata: Q82445846
• Mol file: 111641-17-9.mol

Synonyms:111641-17-9;4-(Piperazin-1-yl)-2,6-di(pyrrolidin-1-yl)pyrimidine;4-(Piperazin-1-yl)-2,6-di-(pyrrolidin-1-yl)-pyrimidine;4-piperazin-1-yl-2,6-dipyrrolidin-1-ylpyrimidine;CHEMBL3905486;4-[2,6-Bis(1-pyrrolidinyl)4-pyrimidinyl]piperazine;SCHEMBL6505711;DTXSID70561916;XTPTVAPEXHUUDR-UHFFFAOYSA-N;BDBM50200550;1-(3-TRIFLUOROBENZENE)PIPERAZINEHYDROBROMIDE;4-(1-piperazinyl)-2,6-di-1-pyrrolidinylpyrimidine;1-[(2,6-dipyrrolidin-1-yl)pyrimidin-4-yl]piperazine;1-[2,6-di(1-pyrrolidinyl)-4-pyrimidinyl]piperazine;2,4-di-(1-pyrrolidinyl)-6-(1-piperazinyl)pyrimidine;2,6-bis(1-pyrrolidinyl)-4-(1-piperazinyl)pyrimidine;4-[2,6-Bis(1-pyrrolidinyl)-4-pyrimidinyl]piperazine;N-[2,6-bis(pyrrolidin-1-yl)pyrimidin-4-yl]piperazine

Chemical Property of 4-(Piperazin-1-yl)-2,6-di(pyrrolidin-1-yl)pyrimidine

Chemical Property:

• Vapor Pressure: 2.78E-12mmHg at 25°C
• Melting Point: 177-178 °C
• Refractive Index: 1.597
• Boiling Point: 553.2°Cat760mmHg
• PKA: 12.04±0.50(Predicted)
• Flash Point: 288.4°C
• PSA: 47.53000
• Density: 1.194g/cm³
• LogP: 1.61040
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 302.22189485
• Heavy Atom Count: 22
• Complexity: 347

Purity/Quality:

97% ^*data from raw suppliers

4-(Piperazin-1-yl)-2,6-di(pyrrolidin-1-yl)pyrimidine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)C2=CC(=NC(=N2)N3CCCC3)N4CCNCC4

Technology Process of 4-(Piperazin-1-yl)-2,6-di(pyrrolidin-1-yl)pyrimidine

There total 4 articles about 4-(Piperazin-1-yl)-2,6-di(pyrrolidin-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: 85.0%

pyrrolidine (123-75-1) + piperazine (110-85-0) + 2,4,6-trichloropyrimidine (3764-01-0) → 2,4-bis(1-pyrrolidinyl)-6-(1-piperazinyl)-pyrimidine (111641-17-9)

Guidance literature:

pyrrolidine; 2,4,6-trichloropyrimidine; With sodium carbonate; In n-heptane; water; at 80 ℃; for 12h; Inert atmosphere;

With hydrogenchloride; In n-heptane; water; at 40 - 50 ℃; Inert atmosphere;

piperazine; Further stages;

DOI:10.1021/op060093q

Reference yield: 83.0%

piperazine (110-85-0) + 2,4-di(1-pyrrolidinyl)-6-chloropyrimidine (111669-15-9) → 2,4-bis(1-pyrrolidinyl)-6-(1-piperazinyl)-pyrimidine (111641-17-9)

Guidance literature:

With pyridine; at 100 ℃; for 50h;

DOI:10.1021/jm00166a010

Reference yield:

oxalyl dichloride (79-37-8) + 4-(2-hydroxyethoxy)-phenol (13427-53-7) → 2,4-bis(1-pyrrolidinyl)-6-(1-piperazinyl)-pyrimidine (111641-17-9)

Guidance literature:

With triethylamine; In dichloromethane; dimethyl sulfoxide;

upstream raw materials:

piperazine

2,4-di(1-pyrrolidinyl)-6-chloropyrimidine

pyrrolidine

2,4,6-trichloropyrimidine

Downstream raw materials:

16α-methyl-21-[4-[2,6-bis(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]-pregna-1,4,9(11)-triene-3,20-dione

1-(10-undecenoyl)-4-[2,6-di(1-pyrrolidinyl)-4-pyrimidinyl]piperazine