1-(4-(Trifluoromethyl)pyridin-2-yl)ethanone

Base Information

• Chemical Name: 1-(4-(Trifluoromethyl)pyridin-2-yl)ethanone
• CAS No.: 145947-94-0
• Molecular Formula: C₈H₆F₃NO
• Molecular Weight: 189.137
• European Community (EC) Number: 871-479-9
• Mol file: 145947-94-0.mol

Synonyms:145947-94-0;1-(4-(trifluoromethyl)pyridin-2-yl)ethanone;1-[4-(trifluoromethyl)pyridin-2-yl]ethanone;1-[4-(TRIFLUOROMETHYL)PYRIDIN-2-YL]ETHAN-1-ONE;ETHANONE, 1-[4-(TRIFLUOROMETHYL)-2-PYRIDINYL]-;SCHEMBL8563867;2-acetyl-4-trifluoromethylpyridine;MFCD10697682;AKOS006302510;AB60231;AC-29111;BS-15409;CS-0155073;D83948;EN300-7426903

Chemical Property of 1-(4-(Trifluoromethyl)pyridin-2-yl)ethanone

Chemical Property:

• Boiling Point: 199.0±35.0 °C(Predicted)
• PKA: -0.18±0.10(Predicted)
• PSA: 29.96000
• Density: 1.280±0.06 g/cm3(Predicted)
• LogP: 2.30300
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 189.04014830
• Heavy Atom Count: 13
• Complexity: 202

Purity/Quality:

97% ^*data from raw suppliers

1-[4-(TRIFLUOROMETHYL)PYRIDIN-2-YL]ETHANONE 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(4-(Trifluoromethyl)pyridin-2-yl)ethanone

There total 8 articles about 1-(4-(Trifluoromethyl)pyridin-2-yl)ethanone 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: 99.0%

1-ethoxy-1-(4-trifluoromethylpyrid-2-yl)-ethylene (145948-12-5) → 1-(4-(trifluoromethyl)pyridin-2-yl)ethanone (145947-94-0)

Guidance literature:

With hydrogenchloride; In acetone;

Reference yield: 80.0%

4-(vinyloxy)butan-1-ol (17832-28-9) + 2-chloro-4-trifluoromethyl pyridine (81565-18-6) → 1-(4-(trifluoromethyl)pyridin-2-yl)ethanone (145947-94-0)

Guidance literature:

4-(vinyloxy)butan-1-ol; 2-chloro-4-trifluoromethyl pyridine; With 1,3-bis-(diphenylphosphino)propane; palladium diacetate; sodium carbonate; at 120 ℃; for 3h; Inert atmosphere;

With hydrogenchloride; In water; at 110 ℃; for 1h; Inert atmosphere;

Reference yield: 67.0%

4-trifluoromethylpyridine (3796-24-5) + paracetaldehyde (123-63-7) → 1-(4-(trifluoromethyl)pyridin-2-yl)ethanone (145947-94-0)

Guidance literature:

With ferrous(II) sulfate heptahydrate; di-tert-butyl peroxide; trifluoroacetic acid; In acetonitrile; for 24h; Reflux;

DOI:10.1021/acs.orglett.7b01966

upstream raw materials:

2-(3-methylbutanoyl)isonicotinonitrile

4-trifluoromethylpyridine

1-ethoxy-1-(4-trifluoromethylpyrid-2-yl)-ethylene

paracetaldehyde

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