3-(4-Fluorophenyl)-3-oxo-2-(4-pyridinyl)propanenitrile

Base Information

• Chemical Name: 3-(4-Fluorophenyl)-3-oxo-2-(4-pyridinyl)propanenitrile
• CAS No.: 148671-42-5
• Molecular Formula: C14H9FN2O
• Molecular Weight: 240.237
• Hs Code.: 2933399990
• Mol file: 148671-42-5.mol

Synonyms:3-(4-Fluorophenyl)-3-oxo-2-(4-pyridinyl)propanenitrile;alpha-(4-Fluorobenzoyl)-4-pyridineacetonitrile

Chemical Property of 3-(4-Fluorophenyl)-3-oxo-2-(4-pyridinyl)propanenitrile

Chemical Property:

• Boiling Point: 429.3±40.0 °C(Predicted)
• PKA: 12.50±0.10(Predicted)
• PSA: 53.75000
• Density: 1.266±0.06 g/cm3(Predicted)
• LogP: 2.71078

Purity/Quality:

97% ^*data from raw suppliers

3-(4-Fluorophenyl)-3-oxo-2-(4-pyridinyl)propanenitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-(4-Fluorophenyl)-3-oxo-2-(4-pyridinyl)propanenitrile

There total 2 articles about 3-(4-Fluorophenyl)-3-oxo-2-(4-pyridinyl)propanenitrile 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: 84.0%

p-fluorobenzoic acid succinimidyl ester (66134-67-6) + pyridin-4-ylacetonitrile (13121-99-8) → 3-(4-fluorophenyl)-3-oxo-2-(pyridin-4-yl)propanenitrile (148671-42-5)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 24h;

DOI:10.1016/j.bmc.2014.05.045

Reference yield:

5-(4-fluorophenyl)-4-(pyridin-4-yl)isoxazole → 3-(4-fluorophenyl)-3-oxo-2-(pyridin-4-yl)propanenitrile (148671-42-5)

Guidance literature:

In sodium hydroxide;

Reference yield: 62.0%

3-(4-fluorophenyl)-3-oxo-2-(pyridin-4-yl)propanenitrile (148671-42-5) + chloroform methanol (7285-11-2) → 3-(4-fluorophenyl)-1-methyl-4-(pyridin-4-yl)-1H-pyrazol-5-amine (277746-65-3)

Guidance literature:

With trifluoroacetic acid; trichlorophosphate; In ethanol; water;

upstream raw materials:

p-fluorobenzoic acid succinimidyl ester

pyridin-4-ylacetonitrile

Downstream raw materials:

3-(4-fluorophenyl)-1-methyl-4-(pyridin-4-yl)-1H-pyrazol-5-amine

3-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-5-amine

3-(4-fluorophenyl)-5-phenylacetylamino-4-(4-pyridyl)pyrazole

5-(4-fluorophenyl)-2-methyl-3-phenylacetylamino-4-(4-pyridyl)pyrazole