2-benzylisonicotinonitrile

Base Information

• Chemical Name: 2-benzylisonicotinonitrile
• CAS No.: 18251-51-9
• Molecular Formula: C13H10N2
• Molecular Weight: 194.236
• Mol file: 18251-51-9.mol

Synonyms:2-benzyl-isonicotinonitrile;Carbonochloridic acid,4-chloro-2-(phenylmethyl)phenyl ester;Chlorameisensaeure-(2-benzyl-4-chlor-phenylester);2-Benzyl-4-chlor-phenylchloroformiat;2-benzyl-4-cyanopyridine;2-Benzyl-isonicotinonitril;

Chemical Property of 2-benzylisonicotinonitrile

Chemical Property:

• Boiling Point: 322.4±27.0 °C(Predicted)
• PKA: 1.58±0.10(Predicted)
• PSA: 36.68000
• Density: 1.14±0.1 g/cm3(Predicted)
• LogP: 2.54408

Purity/Quality:

≥95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-benzylisonicotinonitrile

There total 8 articles about 2-benzylisonicotinonitrile 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: 61.0%

pyridine-4-carbonitrile (100-48-1) + phenylacetic acid (103-82-2) → 2-benzylisonicotinonitrile (18251-51-9)

Guidance literature:

With ammonium peroxydisulfate; silver nitrate; trifluoroacetic acid; In water; chlorobenzene; at 50 ℃; for 2h;

DOI:10.1002/anie.200700657

Reference yield: 51.0%

pyridine-4-carbonitrile (100-48-1) + toluene (108-88-3,15644-74-3,16713-13-6) → 2-benzylisonicotinonitrile (18251-51-9)

Guidance literature:

With dipotassium peroxodisulfate; In water; at 80 ℃; for 12h; Sealed tube; Inert atmosphere; Green chemistry;

DOI:10.1039/c3nj00095h

Reference yield:

2-benzylpyridine-4-carboxamide (18165-01-0) → 2-benzylisonicotinonitrile (18251-51-9)

Guidance literature:

With phosphorus pentoxide; at 160 - 170 ℃; under 20 - 30 Torr;

upstream raw materials:

2-benzylpyridine-4-carboxamide

pyridine-4-carbonitrile

phenylacetic acid

2-benzyl-isonicotinic acid ethyl ester

Downstream raw materials:

2-benzylpyridine-4-carbothioamide

1-(2-benzyl-4-pyridyl)-4-methyl-1-pentanone