3-(4-Methylpyridin-2-yl)propanenitrile

Base Information

• Chemical Name: 3-(4-Methylpyridin-2-yl)propanenitrile
• CAS No.: 71858-92-9
• Molecular Formula: C₉H₁₀N₂
• Molecular Weight: 146.192
• DSSTox Substance ID: DTXSID701300062
• Mol file: 71858-92-9.mol

Synonyms:3-(4-methylpyridin-2-yl)propanenitrile;71858-92-9;4-methyl-2-Pyridinepropanenitrile;DTXSID701300062;EN300-1843850

Chemical Property of 3-(4-Methylpyridin-2-yl)propanenitrile

Chemical Property:

• Boiling Point: 130-134 °C(Press: 6-7 Torr)
• Density: 1.032±0.06 g/cm3(Predicted)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 146.084398327
• Heavy Atom Count: 11
• Complexity: 156

Purity/Quality:

95% ^*data from raw suppliers

4-methyl-2-Pyridinepropanenitrile 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=NC=C1)CCC#N

Technology Process of 3-(4-Methylpyridin-2-yl)propanenitrile

There total 2 articles about 3-(4-Methylpyridin-2-yl)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: 53.0%

4-methyl-2-vinylpyridine (13959-34-7) + potassium cyanide (151-50-8) → 2-(2-Cyanethyl)-4-methylpyridin (71858-92-9)

Guidance literature:

With acetic anhydride; In water; at 75 ℃; for 20h;

DOI:10.1007/BF00472484

Reference yield:

→ 2-(2-Cyanethyl)-4-methylpyridin (71858-92-9)

Guidance literature:

Entspr. 2-Bromethylderivat 13a, KCN;

DOI:10.1248/cpb.27.1159

Reference yield:

2-(2-Cyanethyl)-4-methylpyridin (71858-92-9) → 1,4-Dimethyl-2-(2-benzoylethyl)pyridinium iodide (132554-31-5)

Guidance literature:

Multi-step reaction with 2 steps

2: 94 percent / 24 h

DOI:10.1007/BF00472484

upstream raw materials:

4-methyl-2-vinylpyridine

potassium cyanide

Downstream raw materials:

3-(4-Methyl-pyridin-2-yl)-1-phenyl-propan-1-one

1,4-Dimethyl-2-(2-benzoylethyl)pyridinium iodide

Refernces

• 1、 Nagai,Uno,Umemoto. "Studies on psychotropic agents. III. Synthesis of 1-substituted 2-[2-(p-fluorobenzoyl)ethyl]piperidines and related compounds". . p. 1159 - 1168. Retrieved 2007/10/04.