Quinoline-2-carbonitrile

Base Information

• Chemical Name: Quinoline-2-carbonitrile
• CAS No.: 1436-43-7
• Molecular Formula: C10H6N2
• Molecular Weight: 154.171
• Hs Code.: 2933499090
• European Community (EC) Number: 215-865-1
• DSSTox Substance ID: DTXSID00162475
• Nikkaji Number: J45.083I
• Wikidata: Q63395558
• Mol file: 1436-43-7.mol

Synonyms:Quinoline-2-carbonitrile;1436-43-7;2-Quinolinecarbonitrile;Quinaldonitrile;2-CYANOQUINOLINE;Quinolinecarbonitrile;EINECS 215-865-1;MFCD00134341;cyanoquinoline;2-cyano-quinoline;SCHEMBL75226;2-Quinolinecarbonitrile, 97%;DTXSID00162475;STK682535;AKOS005206801;AM81145;PS-3663;SB67811;A3105;CS-0007614;EU-0020129;FT-0633538;Q0099;EN300-49145;J-200048;Q63395558

Chemical Property of Quinoline-2-carbonitrile

Chemical Property:

• Vapor Pressure: 0.000258mmHg at 25°C
• Melting Point: 93-95 °C(lit.)
• Refractive Index: 1.654
• Boiling Point: 323.69 °C at 760 mmHg
• PKA: -0.56±0.40(Predicted)
• Flash Point: 115.537 °C
• PSA: 36.68000
• Density: 1.211 g/cm³
• LogP: 2.10648
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: Insoluble in water.
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 154.053098200
• Heavy Atom Count: 12
• Complexity: 203

Purity/Quality:

99% ^*data from raw suppliers

2-Quinolinecarbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC(=N2)C#N
• Uses: Quinoline-2-carbonitrile is used to produce quinoline-2-carboxylic acid amide. It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.

Technology Process of Quinoline-2-carbonitrile

There total 51 articles about Quinoline-2-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: 100.0%

potassium cyanide + Quinoline N-oxide (1613-37-2) → quinoline-2-carbonitrile (1436-43-7)

Guidance literature:

With benzoyl chloride; In water; at 20 ℃; for 2.5h;

Reference yield: 99.0%

Quinoline N-oxide (1613-37-2) + potassium cyanide (151-50-8) → quinoline-2-carbonitrile (1436-43-7)

Guidance literature:

With benzoyl chloride;

DOI:10.1021/jo0501689

Reference yield: 96.0%

Quinoline N-oxide (1613-37-2) + trimethylsilyl cyanide (7677-24-9) → quinoline-2-carbonitrile (1436-43-7)

Guidance literature:

In neat (no solvent); at 130 ℃; for 1h; Temperature; Solvent; regioselective reaction; Sealed tube; Inert atmosphere;

DOI:10.1002/adsc.201901103

upstream raw materials:

2H-quinoline-1,2-dicarbonitrile

2-Chloroquinoline

hydrogen cyanide

Quinoline N-oxide

Downstream raw materials:

1-quinolin-2-yl-ethanone

3-[2]quinolyl-3-imino-2-phenyl-propionitrile

2-benzoylquinoline

1-[2]quinolyl-2-phenyl-ethanone