2,5-Difluoropyridine

Base Information

• Chemical Name: 2,5-Difluoropyridine
• CAS No.: 84476-99-3
• Molecular Formula: C5H3F2N
• Molecular Weight: 115.082
• Hs Code.: 29333990
• European Community (EC) Number: 674-957-3
• DSSTox Substance ID: DTXSID30376528
• Nikkaji Number: J1.774.358I
• Wikidata: Q72464162
• Mol file: 84476-99-3.mol

Synonyms:2,5-Difluoropyridine;84476-99-3;Pyridine, 2,5-difluoro-;MFCD04114191;2,5-Difluorpyridin;2,5-bis(fluoranyl)pyridine;2,5-Difluoropyridine, 97%;SCHEMBL415945;DTXSID30376528;XFAMUOYNXFXQTC-UHFFFAOYSA-N;2,5-Difluoropyridine, AldrichCPR;BBL100955;STL554749;AKOS005063482;AC-6251;CS-W003160;PS-9232;SY005276;AM20061752;D4174;FT-0600156;EN300-98298;A840800;A905943;J-507345

Chemical Property of 2,5-Difluoropyridine

Chemical Property:

• Appearance/Colour: Colorless liquid
• Vapor Pressure: 24.9mmHg at 25°C
• Melting Point: -33°C(lit.)
• Refractive Index: 1.446
• Boiling Point: 113.1 °C at 760 mmHg
• PKA: -2.85±0.10(Predicted)
• Flash Point: 22.2 °C
• PSA: 12.89000
• Density: 1.263 g/cm³
• LogP: 1.35980
• Storage Temp.: Room temperature.
• XLogP3: 1.4
• 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:

98%, ^*data from raw suppliers

2,5-Difluoropyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,F,Xi
• Hazard Codes: T,F,Xi,Xn
• Statements: 10-36/37/38-22
• Safety Statements: 16-26-36/37/39-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=NC=C1F)F

Technology Process of 2,5-Difluoropyridine

There total 1 articles about 2,5-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: 35.3%

pyridine (110-86-1) → perfluoro-N-ethylpyrrolidine (2344-10-7) + Pentafluoropyridine (700-16-3) + N,N-Bis(trifluoromethyl)amine (371-77-7) + 2,5-difluoropyridine (84476-99-3)

Guidance literature:

With caesium tetrafluorocobaltate(III); In gaseous matrix; at 310 ℃; for 3.5h; Further byproducts given;

DOI:10.1016/S0022-1139(00)81239-7

Reference yield: 89.7%

C16H23NO + 2,5-difluoropyridine (84476-99-3) → C21H25FN2O

Guidance literature:

With sodium t-butanolate; In toluene; at 20 - 25 ℃; Inert atmosphere;

Reference yield: 88.0%

4-methoxyphenyltitanium triisopropoxide (103594-89-4) + 2,5-difluoropyridine (84476-99-3) → 5-fluoro-2-(4-methoxyphenyl)pyridine (885588-71-6)

Guidance literature:

With palladium diacetate; 1-[2-(di-tert-butylphosphanyl)phenyl]-4-methoxy-piperidine; In tetrahydrofuran; toluene; at 110 ℃; for 12h; Inert atmosphere; Glovebox;

DOI:10.1007/s00706-021-02796-6

upstream raw materials:

pyridine

Downstream raw materials:

2-(5-fluoropyridin-2-yl)acetonitrile

3,5-dimethoxypyridine

preparation of 2,5-difluoro-4-iodopyridine

benzyl 1-(5-fluoropyridin-2-yl)-3-[1-hydroxy-2-methylpropyl]-1H-pyrazole-4-carboxylate

Refernces