1-(6-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazine

Base Information

• Chemical Name: 1-(6-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazine
• CAS No.: 132834-56-1
• Molecular Formula: C10H11 Cl F3 N3
• Molecular Weight: 265.66300
• Hs Code.: 2933990090
• UNII: TUK9RFW5YL
• DSSTox Substance ID: DTXSID70430870
• Nikkaji Number: J1.179.241C
• Wikipedia: ORG-12962
• Wikidata: Q7101734
• Pharos Ligand ID: N5KW5X93DBX5
• ChEMBL ID: CHEMBL506999
• Mol file: 132834-56-1.mol

Synonyms:132834-56-1;1-(6-chloro-5-(trifluoromethyl)pyridin-2-yl)piperazine;ORG-12962;org 12962;1-[6-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine;1-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine;piperazine, 1-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-;Org12962;1-[6-Chloro-5-(trifluoromethyl)-2-pyridinyl]-piperazine;TUK9RFW5YL;D0N7HY;GTPL170;SCHEMBL906077;[6-chloro-5-(trifluoromethyl)-2-pyridyl]piperazine;CHEMBL506999;BDBM85533;DTXSID70430870;Org 12,962;ORG12692;MFCD00892750;AKOS005073183;KD-0713;NCGC00370871-01;HY-118152;LS-193739;A2811;AM20050771;CS-0065306;FT-0703406;C72316;L003895;J-503456;Q7101734;2-Chloro-3-(trifluoromethyl)-6-(1-piperazinyl)pyridine;Piperazine,1-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-

Chemical Property of 1-(6-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazine

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 76～78℃
• Boiling Point: 286.004oC at 760 mmHg
• PKA: 8.38±0.10(Predicted)
• Flash Point: 126.771oC
• PSA: 28.16000
• Density: 1.454g/cm3
• LogP: 2.55720
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 265.0593595
• Heavy Atom Count: 17
• Complexity: 256

Purity/Quality:

99% ^*data from raw suppliers

1-[6-Chloro-5-(trifluoromethyl)-2-pyridinyl]-piperazine >95% ^*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=C2)C(F)(F)F)Cl

Technology Process of 1-(6-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazine

There total 2 articles about 1-(6-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazine 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: 100.0%

→ 1-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-piperazine (132834-56-1)

Guidance literature:

Reference yield:

piperazine (110-85-0) + 2,6-dichloro-3-(trifluoromethyl)pyridine (55304-75-1) → 1-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-piperazine (132834-56-1)

Guidance literature:

In ethanol; ethyl acetate;

Reference yield:

2-Phenoxyethanol (122-99-6,56257-90-0,9004-78-8) + acetic acid (64-19-7,77671-22-8) + 1-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-piperazine (132834-56-1) → 1-[6-(2-phenoxy-ethoxy)-5-trifluoromethyl-pyridin-2-yl]-piperazine, acetate

Guidance literature:

2-Phenoxyethanol; 1-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-piperazine; With potassium 2,2-dimethyl-1-propanolate; In dimethyl sulfoxide; at 20 ℃; for 2h;

acetic acid;

upstream raw materials:

piperazine

2,6-dichloro-3-(trifluoromethyl)pyridine

Refernces

• 1、 -. "Novel compounds and their use". Page 8. . Retrieved 2010/02/06.