3,5-Difluoropyridine 1-oxide

Base Information

• Chemical Name: 3,5-Difluoropyridine 1-oxide
• CAS No.: 210169-07-6
• Molecular Formula: C₅H₃F₂NO
• Molecular Weight: 131.082
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID00444920
• Wikidata: Q72464227
• Mol file: 210169-07-6.mol

Synonyms:3,5-Difluoropyridine 1-oxide;210169-07-6;3,5-Difluoro-1-oxidopyridin-1-ium;Pyridine,3,5-difluoro-,1-oxide(9CI);3,5-Difluoropyridine1-oxide;DTXSID00444920;3,5-difluoropyridin-1-ium-1-olate;MFCD16036156;AKOS006334205;BS-22055;A879298

Chemical Property of 3,5-Difluoropyridine 1-oxide

Chemical Property:

• Boiling Point: 266℃
• PKA: -0.42±0.10(Predicted)
• Flash Point: 114℃
• PSA: 25.46000
• Density: 1.33
• LogP: 1.39330
• Storage Temp.: Room temperature.
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 131.01827004
• Heavy Atom Count: 9
• Complexity: 91

Purity/Quality:

97% ^*data from raw suppliers

3,5-Difluoropyridine1-oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=[N+](C=C1F)[O-])F

Technology Process of 3,5-Difluoropyridine 1-oxide

There total 3 articles about 3,5-Difluoropyridine 1-oxide 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: 89.8%

3,5-difluoropyridine (71902-33-5) → 3,5-difluoro(pyridine 1-oxide) (210169-07-6)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 25 - 30 ℃;

Reference yield:

Pentafluoropyridine (700-16-3) → 3,5-difluoro(pyridine 1-oxide) (210169-07-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 30 percent Chromat_. / LiAlH₄ / diethyl ether / 28 h / 0 - 20 °C

2: 71 percent / peracetic acid / CHCl₃; acetic acid / 24 h / 50 °C

With peracetic acid; lithium aluminium tetrahydride; In diethyl ether; chloroform; acetic acid;

Reference yield:

2,4,6-tribromo-3,5-difluoropyridine (30841-93-1) → 3,5-difluoro(pyridine 1-oxide) (210169-07-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 63 percent / H₂, Et₃N / Pd/C / CH₂Cl₂ / 21 h / 3000.2 Torr / Ambient temperature

2: 71 percent / peracetic acid / CHCl₃; acetic acid / 24 h / 50 °C

With peracetic acid; hydrogen; triethylamine; palladium on activated charcoal; In dichloromethane; chloroform; acetic acid;

upstream raw materials:

3,5-difluoropyridine

Pentafluoropyridine

2,4,6-tribromo-3,5-difluoropyridine