2-Fluoro-3-(pyridin-2-yl)prop-2-enenitrile

Base Information

• Chemical Name: 2-Fluoro-3-(pyridin-2-yl)prop-2-enenitrile
• CAS No.: 745812-13-9
• Molecular Formula: C₈H₅FN₂
• Molecular Weight: 148.14
• DSSTox Substance ID: DTXSID40696845
• Mol file: 745812-13-9.mol

Synonyms:745812-13-9;DTXSID40696845;2-fluoro-3-(2-pyridinyl)-2-propenenitrile;2-Fluoro-3-(pyridin-2-yl)prop-2-enenitrile;2-fluoranyl-3-pyridin-2-yl-prop-2-enenitrile;A838168

Chemical Property of 2-Fluoro-3-(pyridin-2-yl)prop-2-enenitrile

Chemical Property:

• PSA: 36.68000
• LogP: 1.91558
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 148.04367633
• Heavy Atom Count: 11
• Complexity: 201

Purity/Quality:

97% ^*data from raw suppliers

2-fluoro-3-(2-pyridinyl)-2-Propenenitrile 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Fluoro-3-(pyridin-2-yl)prop-2-enenitrile

There total 4 articles about 2-Fluoro-3-(pyridin-2-yl)prop-2-enenitrile 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:

pyridine-2-carbaldehyde (1121-60-4) + (diphenylphosphinoyl)fluoroacetonitrile (745812-08-2) → (E)-2-fluoro-3-(2-pyridyl)acrylonitrile (140137-15-1,745812-13-9) + (Z)-2-fluoro-3-(2-pyridyl)acrylonitrile (140137-14-0,745812-13-9)

Guidance literature:

In tetrahydrofuran; at -78 - 20 ℃; for 1h; Title compound not separated from byproducts;

DOI:10.1016/j.jfluchem.2003.11.001

Reference yield:

pyridine-2-carbaldehyde (1121-60-4) + (diphenylphosphinoyl)fluoroacetonitrile (745812-08-2) → (E)-2-fluoro-3-(2-pyridyl)acrylonitrile (140137-15-1,745812-13-9) + (Z)-2-fluoro-3-(2-pyridyl)acrylonitrile (140137-14-0,745812-13-9)

Guidance literature:

In tetrahydrofuran; at -78 - 20 ℃; for 1h; Title compound not separated from byproducts;

DOI:10.1016/j.jfluchem.2003.11.001

Reference yield:

pyridine-2-carbaldehyde (1121-60-4) + diethyl 1-cyanomethylphosphonate (2537-48-6) → (E)-2-fluoro-3-(2-pyridyl)acrylonitrile (140137-15-1,745812-13-9) + (Z)-2-fluoro-3-(2-pyridyl)acrylonitrile (140137-14-0,745812-13-9)

Guidance literature:

Yield given. Multistep reaction. Yields of byproduct given;

upstream raw materials:

pyridine-2-carbaldehyde

diethyl 1-cyanomethylphosphonate

(diphenylphosphinoyl)fluoroacetonitrile