3-(3-Pyridinyl)acrylonitrile

Base Information

• Chemical Name: 3-(3-Pyridinyl)acrylonitrile
• CAS No.: 6443-86-3
• Molecular Formula: C8H6 N2
• Molecular Weight: 130.149
• DSSTox Substance ID: DTXSID201303023
• Mol file: 6443-86-3.mol

Synonyms:3-(3-pyridinyl)acrylonitrile;3-pyridin-3-ylprop-2-enenitrile;3-(3-pyridinyl)-2-propenenitrile;pyridine-5-acrylonitrile;3-(3-pyridyl)acrylonitrile;3-(3-pyridyl)-acrylonitrile;3-pyridin-3-yl-acrylonitrile;SCHEMBL1898942;CNHMTMHYYONLOV-UHFFFAOYSA-N;DTXSID201303023;AKOS017436925

Chemical Property of 3-(3-Pyridinyl)acrylonitrile

Chemical Property:

• PSA: 36.68000
• LogP: 1.61838
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 130.053098200
• Heavy Atom Count: 10
• Complexity: 163

Purity/Quality:

3-(3-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(=CN=C1)C=CC#N

Technology Process of 3-(3-Pyridinyl)acrylonitrile

There total 4 articles about 3-(3-Pyridinyl)acrylonitrile 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: 86.0%

3-(3-pyridyl)acrolein (28447-15-6) → 3-(3-pyridinyl)-2-propenenitrile (6443-86-3)

Guidance literature:

With ammonia; oxygen; In tert-Amyl alcohol; at 40 ℃; for 24h; under 750.075 Torr; Green chemistry;

DOI:10.1039/c7gc02627g

Reference yield:

3-pyridinecarboxaldehyde (500-22-1) + cyanoacetic acid (372-09-8) → 3-(3-pyridinyl)-2-propenenitrile (6443-86-3)

Guidance literature:

With pyridine; ammonium acetate; In toluene; for 44h; Heating;

DOI:10.1021/jm00053a008

Reference yield:

3-pyridinecarboxaldehyde (500-22-1) + cyanomethylene triphenylphosphorane (16640-68-9) → 3-(3-pyridinyl)-2-propenenitrile (6443-86-3)

Guidance literature:

In dimethyl sulfoxide; for 0.0833333h; Irradiation;

DOI:10.1016/S0040-4039(01)01384-3

upstream raw materials:

3-pyridinecarboxaldehyde

cyanoacetic acid

cyanomethylene triphenylphosphorane

3-(3-pyridyl)acrolein

Downstream raw materials:

trans-3-(3-pyridyl)acrylic acid

3-(pyridin-3-yl)propanenitrile

peldesine

3-(3-Benzoyl-2-methyl-isothioureido)-4-pyridin-3-ylmethyl-1H-pyrrole-2-carboxylic acid methyl ester