2,3,5-Trifluoropyridine

Base Information

• Chemical Name: 2,3,5-Trifluoropyridine
• CAS No.: 76469-41-5
• Molecular Formula: C5H2F3N
• Molecular Weight: 133.073
• Hs Code.: 29333990
• European Community (EC) Number: 680-886-9
• DSSTox Substance ID: DTXSID80382558
• Nikkaji Number: J2.175.408K
• Wikidata: Q72513324
• Mol file: 76469-41-5.mol

Synonyms:2,3,5-Trifluoropyridine;76469-41-5;Pyridine, 2,3,5-trifluoro-;MFCD03001162;2,3,5-trifluoro-pyridine;SCHEMBL781323;DTXSID80382558;JKVOXNTXYMXDHN-UHFFFAOYSA-N;BBL103006;STL556815;AKOS005064122;CS-W011084;DS-1210;SB52311;AC-24484;SY050276;AM20070072;FT-0601995;T2778;EN300-98136;A838716;J-506892

Chemical Property of 2,3,5-Trifluoropyridine

Chemical Property:

• Appearance/Colour: Colorless liquid
• Refractive Index: 1.422
• Boiling Point: 96.7 °C at 760 mmHg
• PKA: -5.28±0.20(Predicted)
• Flash Point: 12.3 °C
• PSA: 12.89000
• Density: 1.396 g/cm³
• LogP: 1.49890
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Water Solubility.: Difficult to mix in water.
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 133.01393355
• Heavy Atom Count: 9
• Complexity: 98.2

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,3,5-trifluoropyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, F, C
• Hazard Codes: Xi,F,C
• Statements: 36/37/38-10
• Safety Statements: 26-36/37/39-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC(=C1F)F)F

Technology Process of 2,3,5-Trifluoropyridine

There total 5 articles about 2,3,5-Trifluoropyridine 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:

Pentafluoropyridine (700-16-3) → 3,4-difluoropyridine (82878-63-5) + 3,4,5-trifluoropyridine (67815-54-7) + 2,3,4,5-tetrafluoropyridine (3512-16-1) + 2,3,5,6-tetrafluoropyridine (2875-18-5) + 2,3,5‐trifluoropyridine (76469-41-5)

Guidance literature:

With triethylsilane; α,α,α-trifluorotoluene; C₆₄H₆₈N₂OP₂Ru; In tetrahydrofuran; at 69.84 ℃; for 28h; Time; stereoselective reaction; Schlenk technique; Glovebox;

DOI:10.1021/cs501644r

Reference yield:

2,3,5,6-tetrafluoropyridine (2875-18-5) → 3-Fluoropyridine (372-47-4) + 2,3,6-trifluoropyridine (3512-18-3) + 2,3,5‐trifluoropyridine (76469-41-5) + 3,5-difluoropyridine (71902-33-5)

Guidance literature:

With triethylsilane; [Rh(μ-H)(1,3-bis(diisopropylphosphanyl)propane)]₂; In benzene-d6; at 50 ℃; for 48h; regioselective reaction; Inert atmosphere;

DOI:10.1016/j.jfluchem.2013.05.021

Reference yield:

Pentafluoropyridine (700-16-3) → 2,3,5,6-tetrafluoropyridine (2875-18-5) + 2,3,5,6-tetrafluoro-4-hydroxypyridine (2693-66-5) + 2,3,5‐trifluoropyridine (76469-41-5)

Guidance literature:

With NiCl₂*2Phen; 1-n-butyl-3-methylimidazolim bromide; zinc; In water; at 70 ℃; for 7h;

DOI:10.1016/j.tetlet.2010.02.104

upstream raw materials:

Pentafluoropyridine

2,3,5,6-tetrafluoropyridine

Refernces

• 1、 Zámostná, Lada,Ahrens, Mike,Braun, Thomas. "Catalytic hydrodefluorination of fluoroaromatics with silanes as hydrogen source at a binuclear rhodium complex: Characterization of key intermediates". . p. 132 - 142. Retrieved 2013/10/01.