2,3,4,6-Tetrafluoropyridine

Base Information

• Chemical Name: 2,3,4,6-Tetrafluoropyridine
• CAS No.: 3512-13-8
• Molecular Formula: C5H F4 N
• Molecular Weight: 151.063
• Hs Code.: 2933399090
• European Community (EC) Number: 679-350-7
• DSSTox Substance ID: DTXSID00382555
• Nikkaji Number: J1.253.671B
• Wikidata: Q82173912
• Mol file: 3512-13-8.mol

Synonyms:2,3,4,6-Tetrafluoropyridine;3512-13-8;Pyridine, 2,3,4,6-tetrafluoro-;SCHEMBL3219729;DTXSID00382555;NOQFPTRRIPJRMG-UHFFFAOYSA-N;AMY12437;MFCD03001159;2,3,4,6-tetrakis(fluoranyl)pyridine;AKOS000265033;63745-12-0;AS-59237;CS-0217937;FT-0609363;FT-0609364;EN300-93761;F21459;A822582;A934165

Chemical Property of 2,3,4,6-Tetrafluoropyridine

Chemical Property:

• Vapor Pressure: 23.4mmHg at 25°C
• Refractive Index: 1.399
• Boiling Point: 114.6°Cat760mmHg
• PKA: -9.66±0.18(Predicted)
• Flash Point: 23.1°C
• PSA: 12.89000
• Density: 1.518g/cm³
• LogP: 1.63800
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 151.00451168
• Heavy Atom Count: 10
• Complexity: 120

Purity/Quality:

98%Min ^*data from raw suppliers

2,3,4,6-tetrafluoropyridine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,3,4,6-Tetrafluoropyridine

There total 8 articles about 2,3,4,6-Tetrafluoropyridine 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: 89.0%

3-chloro-2,4,5,6-tetrafluoropyridine (1735-84-8) → 2,3,4,6-tetrafluoropyridine (3512-13-8,63745-12-0)

Guidance literature:

With ammonium formate; palladium on activated charcoal; In octanol; at 25 ℃; for 6h;

DOI:10.1002/chem.200400837

Reference yield: 73.0%

Pentafluoropyridine (700-16-3) → 2,3,4,6-tetrafluoropyridine (3512-13-8,63745-12-0) + 2,3,5,6-tetrafluoropyridine (2875-18-5)

Guidance literature:

With C₃₂H₄₆N₂Ru; sodium carbonate; isopropyl alcohol; at 70 ℃; for 24h; Inert atmosphere; Schlenk technique; Glovebox;

DOI:10.1021/acscatal.6b02004

Reference yield: 30.0%

3-chloro-2,4,5,6-tetrafluoropyridine (1735-84-8) → 2,3,4,6-tetrafluoropyridine (3512-13-8,63745-12-0) + 2,3,5,6-tetrafluoropyridine (2875-18-5) + 3-chloro-2,5,6-trifluoro-pyridine (2879-42-7)

Guidance literature:

With zinc; In water; N,N-dimethyl-formamide; for 20h; Heating;

upstream raw materials:

pyridine

3-chloro-2,4,5,6-tetrafluoropyridine

hydrogen

Pentafluoropyridine

Downstream raw materials:

2,3,6-trifluoro-4-methoxypyridine

2,4,5,6-tetrafluoro-3-hydroxypyridine

3,4,6-trifluoro-pyridin-2-ylamine

4-Amino-2,3,6-trifluoropyridine

Refernces

• 1、 Mai, Van Hung,Nikonov, Georgii I.. "Hydrodefluorination of fluoroaromatics by isopropyl alcohol catalyzed by a ruthenium NHC complex. An unusual role of the carbene ligand". . p. 7956 - 7961. Retrieved 2018/05/23.
• 2、 Bobbio, Carla,Rausis, Thierry,Schlosser, Manfred. "Removal of fluorine from and introduction of fluorine into polyhalopyridines: An exercise in nucleophilic hetarenic substitution". . p. 1903 - 1910. Retrieved 2007/10/03.