3-Fluoro-2-trifluoromethylpyridine

Base Information

• Chemical Name: 3-Fluoro-2-trifluoromethylpyridine
• CAS No.: 886510-21-0
• Molecular Formula: C₆H₃F₄N
• Molecular Weight: 165.09
• Hs Code.: 2933399090
• Mol file: 886510-21-0.mol

Synonyms:3-FLUORO-2-TRIFLUOROMETHYLPYRIDINE

Chemical Property of 3-Fluoro-2-trifluoromethylpyridine

Chemical Property:

• Refractive Index: n20/D 1.409
• Boiling Point: 113.5±35.0℃ (760 Torr)
• PKA: -1.87±0.22(Predicted)
• Flash Point: 47°C
• PSA: 12.89000
• Density: 1.384g/mLat 25℃
• LogP: 2.23950
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

99.3% ^*data from raw suppliers

3-Fluoro-2-(trifluoromethyl)pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25-36/37/38
• Safety Statements: 26-36-45

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3-Fluoro-2-(trifluoromethyl)pyridine is a reagent used to synthesize?thieno-pyrimidine compounds?with fungicidal activity. It can also be used to make?3-azabicyclo[3.1.0]hexane-6-carboxylic acid amide derivatives?as?somatostatin receptor subtype 4 (SSTR4) agonists.

Technology Process of 3-Fluoro-2-trifluoromethylpyridine

There total 3 articles about 3-Fluoro-2-trifluoromethylpyridine 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%

2-Trifluoromethyl-3-nitro-pyridine (133391-63-6) → 3-fluoro-2-(trifluoromethyl)pyridine (886510-21-0)

Guidance literature:

With tetrabutyl ammonium fluoride; In dimethyl sulfoxide; for 8h; Solvent; Reflux; Large scale;

Reference yield: 78.0%

3-fluoro(pyridin-2-yl)carboxylic acid (152126-31-3) → 3-fluoro-2-(trifluoromethyl)pyridine (886510-21-0)

Guidance literature:

With sulfur tetrafluoride; hydrogen fluoride; at 85 ℃; for 24h; Autoclave; Inert atmosphere;

DOI:10.1021/acs.joc.9b03011

Reference yield:

2-Chloro-3-nitropyridine (5470-18-8,34515-82-7) → 3-fluoro-2-(trifluoromethyl)pyridine (886510-21-0)

Guidance literature:

Multi-step reaction with 2 steps

1: copper(l) iodide; 1,10-Phenanthroline / N,N-dimethyl-formamide / 3 h / 100 - 110 °C / Inert atmosphere; Large scale

2: tetrabutyl ammonium fluoride / dimethyl sulfoxide / 8 h / Reflux; Large scale

With copper(l) iodide; 1,10-Phenanthroline; tetrabutyl ammonium fluoride; In dimethyl sulfoxide; N,N-dimethyl-formamide;

upstream raw materials:

2-Chloro-3-nitropyridine

2-Trifluoromethyl-3-nitro-pyridine

3-fluoro(pyridin-2-yl)carboxylic acid

Downstream raw materials:

2-trifluoromethyl-3-fluoro-4-pyridinecarboxylic acid

Refernces

• 1、 -. "Synthesis method of 3-fluoro-2-trifluoromethyl isonicotinic acid". . . Retrieved 2020/01/12.