3,4-Difluoropyridine

Base Information

• Chemical Name: 3,4-Difluoropyridine
• CAS No.: 82878-63-5
• Molecular Formula: C₅H₃F₂N
• Molecular Weight: 115.082
• Hs Code.: 2933399990
• European Community (EC) Number: 817-546-8
• DSSTox Substance ID: DTXSID10376581
• Nikkaji Number: J2.175.412I
• Wikidata: Q72464171
• Mol file: 82878-63-5.mol

Synonyms:3,4-difluoropyridine;82878-63-5;3,4-DIFLUROPYRIDINE;Pyridine, 3,4-difluoro-;3,4-difluoro pyridine;SCHEMBL3717170;Ethyl4-(trifluoromethyl)benzoate;DTXSID10376581;JSXCLIYVGKBOOI-UHFFFAOYSA-N;AMY12483;MFCD04114246;AKOS005063469;AB18023;AS-50101;CS-0138973;FT-0646583;EN300-267208;O10910;A850855;J-511157

Chemical Property of 3,4-Difluoropyridine

Chemical Property:

• Vapor Pressure: 34.6mmHg at 25°C
• Boiling Point: 105.3ºC at 760 mmHg
• Flash Point: 17.5ºC
• PSA: 12.89000
• Density: 1.263g/cm3
• LogP: 1.35980
• Storage Temp.: 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 115.02335542
• Heavy Atom Count: 8
• Complexity: 76.8

Purity/Quality:

99% ^*data from raw suppliers

3,4-DIFLUOROPYRIDINE 95% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC(=C1F)F
• Uses: 3,4-Difluoropyridine is a useful chemical reagent for the preparation of fluorinated pyridines.

Technology Process of 3,4-Difluoropyridine

There total 12 articles about 3,4-Difluoropyridine 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: 60.0%

3,4-difluoro-2-hydrazinopyridine (874907-81-0) → 3,4-difluoropyridine (82878-63-5)

Guidance literature:

With manganese(IV) oxide; In octanol; at 15 - 25 ℃;

DOI:10.1002/chem.200400837

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:

3-chloro-4,5-difluoropyridine (851178-98-8) → 3,4-difluoropyridine (82878-63-5) + 3-Fluoropyridine (372-47-4)

Guidance literature:

With ammonium formate; palladium on activated charcoal; In octanol; at 45 ℃; for 6h; Title compound not separated from byproducts;

DOI:10.1002/chem.200400837

upstream raw materials:

3-chloro-4,5-difluoropyridine

3,4-difluoro-2-hydrazinopyridine

4-chloro-2,3-difluoropyridine

3,4-dichloro-5-fluoropyridine

Downstream raw materials:

3-fluoro-4-(3-iodo-1H-pyrazol-1-yl)pyridine

Refernces

• 1、 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.