4-Phenylnicotinonitrile

Base Information

Chemical Name:4-Phenylnicotinonitrile
CAS No.:39065-51-5
Molecular Formula:C12H8N2
Molecular Weight:180.20500
Hs Code.:2933399090
DSSTox Substance ID:DTXSID40416000
Mol file:39065-51-5.mol

Synonyms:4-phenylnicotinonitrile;39065-51-5;4-phenylpyridine-3-carbonitrile;4phenyl-3-cyanopyndine;3-Cyano-4-phenylpyridine;SCHEMBL1146097;DTXSID40416000;ACKSTMUOXBUQHJ-UHFFFAOYSA-N;SB54766;FT-0752085;A873723;J-515949;InChI=1/C12H8N2/c13-8-11-9-14-7-6-12(11)10-4-2-1-3-5-10/h1-7,9

Suppliers and Price of 4-Phenylnicotinonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Crysdot
4-Phenylnicotinonitrile 95+%
1g
$ 614.00

Chemenu
4-Phenylnicotinonitrile 95%
1g
$ 580.00

American Custom Chemicals Corporation
4-PHENYLNICOTINONITRILE 95.00%
5MG
$ 497.43

Total 13 raw suppliers

Chemical Property of 4-Phenylnicotinonitrile

Chemical Property:

PSA：36.68000
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

4-Phenylnicotinonitrile 95+% ^*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=NC=C2)C#N

Technology Process of 4-Phenylnicotinonitrile

There total 9 articles about 4-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: 27.0%

: 100-54-9,121697-66-3,1232169-17-3,68271-95-4
pyridine-3-carbonitrile

: 108-86-1,52753-63-6
bromobenzene

: 39065-51-5
4-phenylpyridine-3-carbonitrile

Guidance literature:: With 2,2-dimethylhexanoic acid; palladium diacetate; potassium carbonate; tricyclohexylphosphine tetrafluoroborate; In toluene; at 120 ℃; for 22h; regioselective reaction; Inert atmosphere;
DOI:10.1021/ja206022p

Reference yield:

: 100-54-9,121697-66-3,1232169-17-3,68271-95-4
pyridine-3-carbonitrile

: 98-80-6
phenylboronic acid

: 39065-49-1
2-phenylpyridine-3-carbonitrile

: 39065-51-5
4-phenylpyridine-3-carbonitrile

: 39065-54-8
2-phenyl-5-cyanopyridine

Guidance literature:: With ammonium peroxodisulfate; zinc trifluoromethanesulfonate; silver nitrate; In dichloromethane; water; at 20 ℃; for 4h; Overall yield = 67 %; regioselective reaction;
DOI:10.3987/COM-16-13506

Reference yield:

: 3-Cyano-1-[dimethyl-(1,1,2-trimethyl-propyl)-silanyloxymethyl]-4-phenyl-pyridinium

: 39065-51-5
4-phenylpyridine-3-carbonitrile

Guidance literature:: With tetrabutyl ammonium fluoride; In tetrahydrofuran; benzene; at 20 ℃; for 14h; Yield given;
DOI:10.1016/0040-4020(92)80015-8