2-(4-Trifluoromethylphenyl)pyridine 1-oxide

Base Information

• Chemical Name: 2-(4-Trifluoromethylphenyl)pyridine 1-oxide
• CAS No.: 874271-40-6
• Molecular Formula: C₁₂H₈F₃NO
• Molecular Weight: 239.197
• DSSTox Substance ID: DTXSID90468554
• Nikkaji Number: J2.269.985G
• Wikidata: Q82295806
• Mol file: 874271-40-6.mol

Synonyms:874271-40-6;2-(4-TRIFLUOROMETHYLPHENYL)PYRIDINE 1-OXIDE;Pyridine,2-[4-(trifluoromethyl)phenyl]-, 1-oxide;1-oxido-2-[4-(trifluoromethyl)phenyl]pyridin-1-ium;SCHEMBL14164170;DTXSID90468554;PPOCUNBIQFKGRR-UHFFFAOYSA-N;2-(4-(Trifluoromethyl)phenyl)pyridine 1-oxide;1-Oxo-2-[4-(trifluoromethyl)phenyl]-1lambda~5~-pyridine

Chemical Property of 2-(4-Trifluoromethylphenyl)pyridine 1-oxide

Chemical Property:

• Melting Point: 120-122 °C(Solv: acetone (67-64-1))
• Boiling Point: 376.9±37.0 °C(Predicted)
• PKA: 0.40±0.10(Predicted)
• PSA: 25.46000
• Density: 1.25±0.1 g/cm3(Predicted)
• LogP: 3.80090
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 239.05579836
• Heavy Atom Count: 17
• Complexity: 249

Purity/Quality:

95% ^*data from raw suppliers

2-(4-TRIFLUOROMETHYLPHENYL)PYRIDINE-1-OXIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=[N+](C(=C1)C2=CC=C(C=C2)C(F)(F)F)[O-]

Technology Process of 2-(4-Trifluoromethylphenyl)pyridine 1-oxide

There total 3 articles about 2-(4-Trifluoromethylphenyl)pyridine 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: 76.0%

pyridine N-oxide (694-59-7) + p-trifluoromethylphenyl bromide (402-43-7) → 2-(4-(trifluoromethyl))-phenylpyridine N-oxide (874271-40-6)

Guidance literature:

With palladium diacetate; potassium carbonate; tri tert-butylphosphoniumtetrafluoroborate; In toluene; at 110 ℃;

DOI:10.1021/ja056800x

Reference yield: 76.0%

→ 2-(4-(trifluoromethyl))-phenylpyridine N-oxide (874271-40-6)

Guidance literature:

Reference yield:

2-(4-trifluoromethylphenyl)pyridine (203065-88-7) → 2-(4-(trifluoromethyl))-phenylpyridine N-oxide (874271-40-6)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 20 ℃; for 18h;

DOI:10.1002/anie.201912746

upstream raw materials:

pyridine N-oxide

p-trifluoromethylphenyl bromide

2-(4-trifluoromethylphenyl)pyridine