1-Benzoyl-1,2-dihydro-2-quinolinecarbonitrile

Base Information

• Chemical Name: 1-Benzoyl-1,2-dihydro-2-quinolinecarbonitrile
• CAS No.: 13721-17-0
• Molecular Formula: C17H12N2O
• Molecular Weight: 260.295
• Hs Code.: 2933499090
• European Community (EC) Number: 665-891-6
• NSC Number: 11908
• DSSTox Substance ID: DTXSID801035909
• Nikkaji Number: J48.392C
• ChEMBL ID: CHEMBL1522307
• Mol file: 13721-17-0.mol

Synonyms:13721-17-0;1-Benzoyl-1,2-dihydro-2-quinolinecarbonitrile;1-benzoyl-2H-quinoline-2-carbonitrile;1-benzoyl-1,2-dihydroquinoline-2-carbonitrile;1-Benzoyl-1,2-dihydroquinaldonitrile;1-Benzoyl-2-cyano-1,2-dihydroquinoline;Quinaldonitrile, 1-benzoyl-1,2-dihydro-;NSC 11908;2-Quinolinecarbonitrile, 1-benzoyl-1,2-dihydro-;BRN 0232716;2-QUINOLINECARBONITRILE, 1,2-DIHYDRO-1-BENZOYL-;MLS000718165;SMR000279933;5-22-03-00051 (Beilstein Handbook Reference);NSC11908;Maybridge1_007249;Quinaldonitrile,2-dihydro-;Oprea1_421957;Oprea1_454907;cid_26219;SCHEMBL8342494;1-(phenylcarbonyl)-1,2-dihydroquinoline-2-carbonitrile;CHEMBL1522307;BDBM60322;HMS562B11;DTXSID801035909;HMS2749J19;2-Quinolinecarbonitrile,2-dihydro-;CCG-53178;NSC-11908;STK087341;AKOS002353577;AKOS016111279;SB71436;NCGC00245468-01;290310-81-5;LS-141354;CS-0358090;2-Quinolinecarbonitrile,2-dihydro-1-benzoyl-;1-(phenylcarbonyl)-2H-quinoline-2-carbonitrile;1-(Benzoyl)-1,2-dihydro-quinoline-2-carbonitrile;SR-01000642359-1

Chemical Property of 1-Benzoyl-1,2-dihydro-2-quinolinecarbonitrile

Chemical Property:

• Vapor Pressure: 2.29E-09mmHg at 25°C
• Boiling Point: 479.8°C at 760 mmHg
• Flash Point: 244°C
• PSA: 44.10000
• Density: 1.27g/cm³
• LogP: 3.31738
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 260.094963011
• Heavy Atom Count: 20
• Complexity: 441

Purity/Quality:

99% ^*data from raw suppliers

1-BENZOYL-2-CYANO-1,2-DIHYDROQUINOLINE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)N2C(C=CC3=CC=CC=C32)C#N

Technology Process of 1-Benzoyl-1,2-dihydro-2-quinolinecarbonitrile

There total 11 articles about 1-Benzoyl-1,2-dihydro-2-quinolinecarbonitrile 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: 94.0%

quinoline (91-22-5) + potassium cyanide + benzoyl chloride (98-88-4) → 1-benzoyl-1,2-dihydro-quinoline-2-carbonitrile (13721-17-0)

Guidance literature:

In dichloromethane; water; at 20 ℃; for 49.5h; Darkness;

DOI:10.1002/ejoc.201200344

Reference yield: 83.0%

quinoline (91-22-5) + tri-n-butyltin cyanide (2179-92-2) + benzoyl chloride (98-88-4) → 1-benzoyl-1,2-dihydro-quinoline-2-carbonitrile (13721-17-0)

Guidance literature:

aluminium trichloride; In dichloromethane; for 18h; Ambient temperature;

Reference yield: 59.0%

quinoline (91-22-5) + benzoyl chloride (98-88-4) + 2-hydroxy-2-methylpropanenitrile (75-86-5) → 1-benzoyl-1,2-dihydro-quinoline-2-carbonitrile (13721-17-0)

Guidance literature:

With potassium carbonate; In water; for 2h;

DOI:10.1007/BF00508676

upstream raw materials:

quinoline

hydrogen cyanide

benzoyl chloride

potassium cyanide

Downstream raw materials:

2-benzoylquinoline

1-[2]quinolyl-1-phenyl-ethanol

N-benzoyl-4-methyl-1,2-dihydroquinaldonitrile

benzoyloxy-phenyl-quinolin-2-yl-methane