Nicotinonitrile, 1,2-dihydro-2-oxo-6-phenethyl-

Base Information

Chemical Name:Nicotinonitrile, 1,2-dihydro-2-oxo-6-phenethyl-
CAS No.:4241-21-8
Molecular Formula:C₁₄H₁₂N₂O
Molecular Weight:224.262
Hs Code.:2933399090
NSC Number:66258
DSSTox Substance ID:DTXSID30962460
Nikkaji Number:J104.570I
Wikidata:Q82944143
Mol file:4241-21-8.mol

Synonyms:4241-21-8;MLS002693562;Nicotinonitrile, 1,2-dihydro-2-oxo-6-phenethyl-;NSC66258;NCIOpen2_003195;SCHEMBL4488668;DTXSID30962460;HMS3085N14;NSC-66258;SMR001559512;2-Hydroxy-6-(2-phenylethyl)nicotinonitrile #;Nicotinonitrile,2-dihydro-2-oxo-6-phenethyl-;2-Hydroxy-6-(2-phenylethyl)pyridine-3-carbonitrile;1,2-Dihydro-2-oxo-6-phenethylpyridine-3-carbonitrile

Suppliers and Price of Nicotinonitrile, 1,2-dihydro-2-oxo-6-phenethyl-

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

Total 6 raw suppliers

Chemical Property of Nicotinonitrile, 1,2-dihydro-2-oxo-6-phenethyl-

Chemical Property:

Vapor Pressure:1.5E-08mmHg at 25°C
Boiling Point:457.4°Cat760mmHg
Flash Point:230.4°C
PSA：56.65000
Density:1.19g/cm³
LogP:2.03178
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:224.094963011
Heavy Atom Count:17
Complexity:405

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CCC2=CC=C(C(=O)N2)C#N

Technology Process of Nicotinonitrile, 1,2-dihydro-2-oxo-6-phenethyl-

There total 4 articles about Nicotinonitrile, 1,2-dihydro-2-oxo-6-phenethyl- 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:

: 100-39-0
benzyl bromide

: 4241-21-8
6-phenethylpyrid-2-one-3-carbonitrile

Guidance literature:

Reference yield:

: 100-39-0
benzyl bromide

: 4241-27-4
1,2-dihydro-6-methyl-2-oxo-3-pyridinecarbonitrile

: 4241-21-8
6-phenethylpyrid-2-one-3-carbonitrile

Guidance literature:: With lithium diisopropyl amide; Yield given. Multistep reaction; 1.) THF, hexane, 0 deg C, 2 h, 2.) THF, hexane, RT, overnight;
DOI:10.1021/jm00046a015