3-(Trifluoromethyl)pyridine

Base Information

• Chemical Name: 3-(Trifluoromethyl)pyridine
• CAS No.: 3796-23-4
• Molecular Formula: C6H4F3N
• Molecular Weight: 147.1
• Hs Code.: 2933399090
• European Community (EC) Number: 223-268-2
• UNII: 625H9FC8CE
• DSSTox Substance ID: DTXSID10191397
• Nikkaji Number: J62.504C
• Wikidata: Q72512640
• Mol file: 3796-23-4.mol

Synonyms:3-FMP;3-trifluoromethylpyridine

Chemical Property of 3-(Trifluoromethyl)pyridine

Chemical Property:

• Appearance/Colour: colorless or pale yellow liquid
• Vapor Pressure: 7.24mmHg at 25°C
• Refractive Index: n20/D 1.418
• Boiling Point: 127.769 °C at 760 mmHg
• PKA: 2.80±0.10(Predicted)
• Flash Point: 31.074 °C
• PSA: 12.89000
• Density: 1.266 g/cm³
• LogP: 2.10040
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 147.02958362
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): T,Xi,F
• Hazard Codes: T,Xi,F
• Statements: 10-25-36/37/38-11
• Safety Statements: 26-45-37-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CN=C1)C(F)(F)F
• Uses: 3-(Trifluoromethyl)pyridine is a reagent used to improve amyloid detection in the brain during MRI.

Technology Process of 3-(Trifluoromethyl)pyridine

There total 39 articles about 3-(Trifluoromethyl)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: 82.0%

3-iodopyridine (1120-90-7) + potassium trimethoxy(trifluoromethyl)boranuide → 3-(trifluoromethyl)pyridine (3796-23-4)

Guidance literature:

With copper(l) iodide; 1,10-Phenanthroline; In dimethyl sulfoxide; at 60 ℃; for 16h; Inert atmosphere;

DOI:10.1002/chem.201002749

Reference yield: 69.0%

sodium 2,2,2-trifluoroacetate (2923-18-4) + 3-pyridylboronic acid (1692-25-7) → 3-(trifluoromethyl)pyridine (3796-23-4)

Guidance literature:

With potassium fluoride; potassium phosphate; In water; N,N-dimethyl-formamide; at 20 ℃; for 48h; Irradiation; Inert atmosphere;

DOI:10.1021/acs.oprd.9b00225

Reference yield: 65.0%

3-iodopyridine (1120-90-7) + sodium 2,2,2-trifluoroacetate (2923-18-4) → 3-(trifluoromethyl)pyridine (3796-23-4)

Guidance literature:

With potassium fluoride; potassium phosphate; In water; N,N-dimethyl-formamide; at 20 ℃; for 48h; Irradiation; Inert atmosphere;

DOI:10.1021/acs.oprd.9b00225

upstream raw materials:

pyridine

Bromotrifluoromethane

iodotrifluoromethane

3-Bromopyridine

Downstream raw materials:

3-(trifluoromethyl)-2-pyridinecarboxylic acid

2-chloro-3-trifluoromethyl-pyridine

2-(o-tolyl)-5-(trifluoromethyl)pyridine

2-fluoro-3-trifluoromethylpyridine