2-Piperazino-4-isopropylamino-5-methyl-6-chloropyrimidine

Base Information

• Chemical Name: 2-Piperazino-4-isopropylamino-5-methyl-6-chloropyrimidine
• CAS No.: 102396-29-2
• Molecular Formula: C₁₂H₂₀ClN₅
• Molecular Weight: 269.777
• DSSTox Substance ID: DTXSID90145035
• Wikidata: Q83009392
• ChEMBL ID: CHEMBL287106
• Mol file: 102396-29-2.mol

Synonyms:6-chloro-4-(isopropylamino)-5-(methyl)-2-piperazinopyrimidine;RP 55462;RP-55462

Chemical Property of 2-Piperazino-4-isopropylamino-5-methyl-6-chloropyrimidine

Chemical Property:

• Vapor Pressure: 1.34E-08mmHg at 25°C
• Boiling Point: 458.7°Cat760mmHg
• Flash Point: 231.2°C
• Density: 1.197g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 269.1407234
• Heavy Atom Count: 18
• Complexity: 257

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(N=C(N=C1Cl)N2CCNCC2)NC(C)C

Technology Process of 2-Piperazino-4-isopropylamino-5-methyl-6-chloropyrimidine

There total 4 articles about 2-Piperazino-4-isopropylamino-5-methyl-6-chloropyrimidine 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:

2-N-formylpiperazino-4-isopropylamino-5-methyl-6-chloropyrimidine → hydrochloride of 2-piperazino-4-isopropylamino-5-methyl-6-chloropyrimidine (84727-77-5) + 2-piperazino-4-isopropylamino-5-methyl-6-chloropyrimidine (102396-29-2)

Guidance literature:

With hydrogenchloride; sodium hydroxide; In ethanol; water;

Reference yield:

4-(4-Chloro-6-isopropylamino-5-methyl-pyrimidin-2-yl)-piperazine-1-carbaldehyde (84727-79-7) → 2-piperazino-4-isopropylamino-5-methyl-6-chloropyrimidine (102396-29-2)

Guidance literature:

With hydrogenchloride; In water; for 2h; Heating;

DOI:10.1021/jm00158a013

Reference yield:

1-formyl-4-methylpiperidine (7556-55-0) → 2-piperazino-4-isopropylamino-5-methyl-6-chloropyrimidine (102396-29-2)

Guidance literature:

Multi-step reaction with 3 steps

1: toluene / 2 h / 90 °C

2: triethylamine / toluene / 4 h / 100 °C

3: conc. HCl / H₂O / 2 h / Heating

With hydrogenchloride; triethylamine; In water; toluene;

DOI:10.1021/jm00158a013

upstream raw materials:

4-(4-Chloro-6-isopropylamino-5-methyl-pyrimidin-2-yl)-piperazine-1-carbaldehyde

1-formyl-4-methylpiperidine

4-(4,6-Dichloro-5-methyl-pyrimidin-2-yl)-piperazine-1-carbaldehyde

Refernces

• 1、 -. "DERIVATIVES OF 2-PIPERAZINO-PYRIMIDINE, METHODS FOR THEIR PREPARATION AND THEIR UTILIZATION AS DRUGS OR INTERMEDIATES FOR DRUGS". . . Retrieved 2008/06/13.