2-(Piperazin-1-yl)-4-(trifluoromethyl)pyrimidine

Base Information

• Chemical Name: 2-(Piperazin-1-yl)-4-(trifluoromethyl)pyrimidine
• CAS No.: 179756-91-3
• Molecular Formula: C9H11 F3 N4
• Molecular Weight: 232.208
• Hs Code.: 29335990
• European Community (EC) Number: 670-652-4
• DSSTox Substance ID: DTXSID80380872
• Wikidata: Q72512837
• ChEMBL ID: CHEMBL2335157
• Mol file: 179756-91-3.mol

Synonyms:179756-91-3;2-(piperazin-1-yl)-4-(trifluoromethyl)pyrimidine;1-(4-Trifluoromethylpyrimidin-2-yl)piperazine;2-piperazin-1-yl-4-(trifluoromethyl)pyrimidine;2-Piperazin-yl-4-(trifluoromethyl)pyrimidine;1-[4-(Trifluoromethyl)pyrimid-2-yl]piperazine;Pyrimidine, 2-(1-piperazinyl)-4-(trifluoromethyl)-;2-piperazin-1-yl-4-trifluoromethyl-pyrimidine;1-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine;2-(1-Piperazinyl)-4-(trifluoromethyl)pyrimidine;4-(Trifluoromethyl)-2-(piperazin-1-yl)pyrimidine;SCHEMBL230177;CHEMBL2335157;AMY5232;DTXSID80380872;BBL040225;MFCD00203912;STK350024;TD8162;AKOS000311568;CS-W012937;FS-1112;AC-28127;A3987;FT-0645338;1[4-(trifluoromethyl)pyrimid-2-yl]piperazine;2-Piperazin-I-yl-4-trifluoromethyl-pyrimidine;EN300-69723;1-(4-trifluoromethyl-pyrimidin-2-yl)piperazine;2-(piperazin-1-yl)-4-trifluoromethyl pyrimidine;W-206272;Z1117899682;1-[4-(trifluoromethyl)pyrimid-2-yl]piperazine, AldrichCPR;2-(piperazin-2-yl)-4-(trifluoromethyl)pyrimidine;2-(Piperazin-1-yl)-4-(trifluoromethyl)pyrimidine

Chemical Property of 2-(Piperazin-1-yl)-4-(trifluoromethyl)pyrimidine

Chemical Property:

• Vapor Pressure: 0.000157mmHg at 25°C
• Melting Point: 50-52°C
• Boiling Point: 331.3oC at 760 mmHg
• PKA: 8.56±0.10(Predicted)
• Flash Point: 154.2oC
• PSA: 41.05000
• Density: 1.306g/cm3
• LogP: 1.29880
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 232.09358085
• Heavy Atom Count: 16
• Complexity: 227

Purity/Quality:

99% ^*data from raw suppliers

2-(Piperazin-1-yl)-4-(trifluoromethyl)pyrimidine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(Piperazin-1-yl)-4-(trifluoromethyl)pyrimidine

There total 3 articles about 2-(Piperazin-1-yl)-4-(trifluoromethyl)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: 75.0%

→ 2-(piperazin-1-yl)-4-(trifluoromethyl)pyrimidine (179756-91-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 100 ℃; for 10h;

Reference yield: 56.0%

piperazine (110-85-0) + 2-chloro-4-trifluoromethylpyrimidine (33034-67-2) → 2-(piperazin-1-yl)-4-(trifluoromethyl)pyrimidine (179756-91-3)

Guidance literature:

With triethylamine; In DMF (N,N-dimethyl-formamide); at 100 ℃;

Reference yield: 39.0%

piperazine (110-85-0) + 2-chloro-4-trifluoromethylpyrimidine (33034-67-2) → C14H12F6N6 + 2-(piperazin-1-yl)-4-(trifluoromethyl)pyrimidine (179756-91-3)

Guidance literature:

In dimethyl sulfoxide; at 25 ℃; for 0.0833333h;

upstream raw materials:

piperazine

2-chloro-4-trifluoromethylpyrimidine

Downstream raw materials:

C₁₈H₁₅F₃N₄O

Refernces

• 1、 -. "SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF". Paragraph 00189; 00246. . Retrieved 2015/02/25.
• 2、 -. "PYRIMIDINE COMPOUNDS AS THERAPEUTIC AGENTS". Page 241-242. . Retrieved 2008/06/13.