3-[2-(Trifluoromethyl)phenyl]pyridine

Base Information

• Chemical Name: 3-[2-(Trifluoromethyl)phenyl]pyridine
• CAS No.: 426823-26-9
• Molecular Formula: C12H8F3N
• Molecular Weight: 223.1938296
• DSSTox Substance ID: DTXSID901286791
• Mol file: 426823-26-9.mol

Synonyms:3-[2-(trifluoromethyl)phenyl]pyridine;426823-26-9;3-(2-(Trifluoromethyl)phenyl)pyridine;Pyridine, 3-[2-(trifluoromethyl)phenyl]-;SCHEMBL12692422;DTXSID901286791;AKOS015899838

Chemical Property of 3-[2-(Trifluoromethyl)phenyl]pyridine

Chemical Property:

• Vapor Pressure: 0.0028mmHg at 25°C
• Boiling Point: 294.8°C at 760 mmHg
• Flash Point: 132.1°C
• Density: 1.23g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 223.06088375
• Heavy Atom Count: 16
• Complexity: 227

Purity/Quality:

95+% ^*data from raw suppliers

3-(2-(Trifluoromethyl)phenyl)pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C2=CN=CC=C2)C(F)(F)F

Technology Process of 3-[2-(Trifluoromethyl)phenyl]pyridine

There total 3 articles about 3-[2-(Trifluoromethyl)phenyl]pyridine 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: 80.0%

pyridine (110-86-1) + 2-iodo(trifluoromethyl)benzene (444-29-1) → 3-(2-trifluoromethyl-phenyl)-pyridine (426823-26-9)

Guidance literature:

With 1,10-Phenanthroline; palladium diacetate; caesium carbonate; at 140 ℃; for 48h; Sealed tube;

DOI:10.1021/ja209510q

Reference yield: 71.0%

3-iodopyridine (1120-90-7) + 2-(trifluoromethyl)phenylboronic acid (1423-27-4) → 3-(2-trifluoromethyl-phenyl)-pyridine (426823-26-9)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In ethanol; toluene; at 100 ℃; for 8h; Inert atmosphere;

Reference yield:

3-pyridylboronic acid (1692-25-7) + 1-chloro-2-(trifluoromethyl)benzene (88-16-4) → 3-(2-trifluoromethyl-phenyl)-pyridine (426823-26-9)

Guidance literature:

With potassium carbonate; [Na₂PdCl₄]; (9-ethyl-2-(SO₃H)-fluorenyl)dicyclohexylphosphonium HSO₄; In water; at 100 ℃; for 12h;

DOI:10.1002/chem.200601142

upstream raw materials:

3-pyridylboronic acid

1-chloro-2-(trifluoromethyl)benzene

pyridine

2-iodo(trifluoromethyl)benzene

Refernces

• 1、 -. "PIPERIDINE AND AZEPINE DERIVATIVES AS PROKINETICIN RECEPTOR MODULATORS". Page/Page column 50. . Retrieved 2015/02/25.
• 2、 -. "New cyclopentadienyl, indenyl or fluorenyl substituted phosphine compounds and their use in catalytic reactions". Page/Page column 53; 58; 59. . Retrieved 2008/06/13.