2-(4-Trifluoromethylbenzoyl)pyridine

Base Information

• Chemical Name: 2-(4-Trifluoromethylbenzoyl)pyridine
• CAS No.: 122377-19-9
• Molecular Formula: C13H8F3NO
• Molecular Weight: 251.208
• DSSTox Substance ID: DTXSID00559068
• Nikkaji Number: J1.490.119A
• Wikidata: Q82441604
• Mol file: 122377-19-9.mol

Synonyms:2-(4-TRIFLUOROMETHYLBENZOYL)PYRIDINE;122377-19-9;pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanone;MFCD07699230;DTXSID00559068;GRSQHGJNKQUFQK-UHFFFAOYSA-N;AKOS012085659;CS-0253895;Pyridin-2-yl(4-(trifluoromethyl)phenyl)methanone;(Pyridin-2-yl)[4-(trifluoromethyl)phenyl]methanone

Chemical Property of 2-(4-Trifluoromethylbenzoyl)pyridine

Chemical Property:

• Vapor Pressure: 0.000184mmHg at 25°C
• Boiling Point: 328.9°C at 760 mmHg
• Flash Point: 152.7°C
• PSA: 29.96000
• Density: 1.292g/cm³
• LogP: 3.33140
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 251.05579836
• Heavy Atom Count: 18
• Complexity: 295

Purity/Quality:

97% ^*data from raw suppliers

2-(4-Trifluoromethylbenzoyl)pyridine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=NC(=C1)C(=O)C2=CC=C(C=C2)C(F)(F)F

Technology Process of 2-(4-Trifluoromethylbenzoyl)pyridine

There total 13 articles about 2-(4-Trifluoromethylbenzoyl)pyridine 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: 96.0%

2-[(4-trifluoromethylphenyl)hydroxymethyl]pyridine (122377-18-8) → (pyridin-2-yl)(4-(trifluoromethyl)phenyl)methanone (122377-19-9)

Guidance literature:

With sodium hydroxide; In toluene; at 110 ℃; for 24h;

DOI:10.1016/j.ejmech.2020.112777

Reference yield: 93.0%

2-[(4-trifluoromethylphenyl)methyl]pyridine → (pyridin-2-yl)(4-(trifluoromethyl)phenyl)methanone (122377-19-9)

Guidance literature:

With Phenylselenyl bromide; oxygen; acetic acid; In water; dimethyl sulfoxide; at 100 ℃; for 22h; Schlenk technique;

DOI:10.1002/adsc.201601065

Reference yield: 92.0%

2-Cyanopyridine (100-70-9,1232006-36-8) + p-trifluoromethylphenyl bromide (402-43-7) → (pyridin-2-yl)(4-(trifluoromethyl)phenyl)methanone (122377-19-9)

Guidance literature:

p-trifluoromethylphenyl bromide; With iodine; magnesium; In tetrahydrofuran;

2-Cyanopyridine; In tetrahydrofuran; at 0 ℃;

DOI:10.1021/acs.orglett.5b01878

upstream raw materials:

2-[(4-trifluoromethylphenyl)hydroxymethyl]pyridine

pyridine-2-carbaldehyde

4-(trifluoromethyl)phenylmagnesium bromide

2-bromo-pyridine

Downstream raw materials:

2-[(4-trifluoromethylphenyl)(hydrazono)methyl]pyridine

2-[(4-trifluoromethylphenyl)hydroxymethyl]pyridine

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