2-Phenylnicotinonitrile

Base Information

• Chemical Name: 2-Phenylnicotinonitrile
• CAS No.: 39065-49-1
• Molecular Formula: C12H8 N2
• Molecular Weight: 180.209
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID40592595
• Nikkaji Number: J1.930.057I
• Wikidata: Q82486782
• Mol file: 39065-49-1.mol

Synonyms:2-phenylnicotinonitrile;39065-49-1;2-Phenylpyridine-3-carbonitrile;2-phenyl-3-cyanopyridine;cyanophenylpyridine;phenyl-3-cyanopyridine;2-phenyl-3 cyanopyridine;SCHEMBL1146096;DTXSID40592595;VLXSSSFLMFXUJQ-UHFFFAOYSA-N;MFCD02929371;AKOS006279712;AC-9414;SB52984;AS-46684;DB-069755;CS-0209452;E10168;EN300-253177;A850040;J-510252;F2167-2945;Z1198161089

Chemical Property of 2-Phenylnicotinonitrile

Chemical Property:

• Vapor Pressure: 4.18E-05mmHg at 25°C
• Refractive Index: 1.62
• Boiling Point: 351.2°C at 760 mmHg
• Flash Point: 122.2°C
• PSA: 36.68000
• Density: 1.17g/cm³
• LogP: 2.62028
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 180.068748264
• Heavy Atom Count: 14
• Complexity: 222

Purity/Quality:

97% ^*data from raw suppliers

2-Phenylnicotinonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(C=CC=N2)C#N

Technology Process of 2-Phenylnicotinonitrile

There total 10 articles about 2-Phenylnicotinonitrile 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: 100.0%

2-chloro-3-pyridinecarbonitrile (6602-54-6) + phenylboronic acid (98-80-6) → 2-phenylpyridine-3-carbonitrile (39065-49-1)

Guidance literature:

With palladium on activated charcoal; sodium carbonate; triphenylphosphine; In 1,2-dimethoxyethane; at 80 ℃; for 9h;

DOI:10.1021/jo034970r

Reference yield: 95.0%

2-chloro-3-pyridinecarbonitrile (6602-54-6) + 4-methyl-2,6-dioxo-8-phenylhexahydro-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborol-4-ium-8-uide (109674-45-5) → 2-phenylpyridine-3-carbonitrile (39065-49-1)

Guidance literature:

With potassium phosphate; C₂₆H₃₃ClFeNPd; XPhos; In ethanol; water; at 90 ℃; for 24h; Inert atmosphere; Schlenk technique; Green chemistry;

DOI:10.1039/c4ra07486f

Reference yield: 91.0%

Benzoylacetonitrile (614-16-4) + 1,2,3-triazine (289-96-3) → 2-phenylpyridine-3-carbonitrile (39065-49-1)

Guidance literature:

With potassium hydroxide; In acetonitrile; at 80 ℃; for 8h; Inert atmosphere;

upstream raw materials:

2-chloro-3-pyridinecarbonitrile

phenylboronic acid

4-methyl-2,6-dioxo-8-phenylhexahydro-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborol-4-ium-8-uide

pyridine-3-carbonitrile

Downstream raw materials:

2-phenyl-3-pyridinecarboxylic acid

4-aza-9-hydroxy-9-fluorenylcarbonyl-L-prolyl-2-(tert-butyloxycarbonylaminomethyl)-5-chlorobenzylamide

4-aza-9-hydroxy-9-fluorenylcarbonyl-L-prolyl-2-(tert-butyloxycarbonylaminomethyl)-5-chlorobenzylamide N-oxide

5H-indeno[1,2-b]pyridin-5-one