2-Phenylquinoline-3-carbonitrile

Base Information

• Chemical Name: 2-Phenylquinoline-3-carbonitrile
• CAS No.: 73013-67-9
• Molecular Formula: C16H10N2
• Molecular Weight: 230.269
• DSSTox Substance ID: DTXSID10500980
• Nikkaji Number: J3.031.904D
• Wikidata: Q82353045
• Mol file: 73013-67-9.mol

Synonyms:2-PHENYLQUINOLINE-3-CARBONITRILE;73013-67-9;DTXSID10500980;SB69737

Chemical Property of 2-Phenylquinoline-3-carbonitrile

Chemical Property:

• PSA: 36.68000
• LogP: 3.77348
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 230.084398327
• Heavy Atom Count: 18
• Complexity: 323

Purity/Quality:

99% ^*data from raw suppliers

2-Phenylquinoline-3-carbonitrile 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=NC3=CC=CC=C3C=C2C#N

Technology Process of 2-Phenylquinoline-3-carbonitrile

There total 20 articles about 2-Phenylquinoline-3-carbonitrile 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: 99.0%

Benzoylacetonitrile (614-16-4) + o-aminobenzaldehyde (529-23-7) → 2-phenylquinoline-3-carbonitrile (73013-67-9)

Guidance literature:

With water; at 70 ℃; for 3h;

DOI:10.1055/s-0031-1289657

Reference yield: 87.0%

(Z)-3-phenyl-3-{2-[(E)-(2-phenylethenyl)]phenylamino}acrylonitrile (1621416-90-7) → 2-phenylquinoline-3-carbonitrile (73013-67-9)

Guidance literature:

With oxygen; manganese (II) acetate tetrahydrate; cobalt(II) diacetate tetrahydrate; In acetic acid; at 80 ℃; for 0.0833333h; under 760.051 Torr; Reagent/catalyst; Temperature;

DOI:10.1055/s-0033-1338561

Reference yield: 74.0%

3-(2-hydroxymethylanilino)-3-phenylprop-2-enenitrile (115975-86-5) → 2-phenyl-4H-benzo[d][1,3]oxazine (46707-86-2) + 2-phenylquinoline-3-carbonitrile (73013-67-9)

Guidance literature:

at 260 - 270 ℃; for 0.333333h;

upstream raw materials:

ethanol

3-amino-3-phenylacrylonitrile

o-aminobenzaldehyde

3-(2-hydroxymethylanilino)-3-phenylprop-2-enenitrile

Downstream raw materials:

2-phenylquinoline-3-carboxylic acid