2-Benzoyl-1,2-dihydroisoquinoline-1-carbonitrile

Base Information Edit

Chemical Name:2-Benzoyl-1,2-dihydroisoquinoline-1-carbonitrile
CAS No.:844-25-7
Molecular Formula:C₁₇H₁₂N₂O
Molecular Weight:260.295
Hs Code.:
European Community (EC) Number:654-873-3
NSC Number:168210,25428
DSSTox Substance ID:DTXSID40282323
Nikkaji Number:J432.320C
ChEMBL ID:CHEMBL1329005
Mol file:844-25-7.mol

Synonyms:844-25-7;2-benzoyl-1,2-dihydroisoquinoline-1-carbonitrile;1-Cyano-2-benzoyl-1,2-dihydroisoquinoline;2-benzoyl-1H-isoquinoline-1-carbonitrile;2-Benzoyl-1,2-dihydro-1-isoquinolinecarbonitrile;2-Benzoyl-1-cyano-1,2-dihydroisoquinoline;NSC25428;2-Benzoyl-1,2-dihydro-isoquinoline-1-carbonitrile;Maybridge1_000014;MixCom1_000014;MLS000710653;SCHEMBL1445597;CHEMBL1329005;SCHEMBL16303071;DTXSID40282323;HMS2757E16;CCG-15121;NSC-25428;NSC168210;STK033075;AKOS000538723;AKOS017344391;NSC-168210;2-Benzoyl-1-cyan-1.2-dihydroisochinolin;AC-10136;AS-67975;SMR000280420;2-Benzoyl-1-cyano-1,2-dihydro-isochinolin;2-Benzoyl-1-cyano-1,2-dihydro-isoquinoline;CS-0314523;EU-0033449;FT-0633028;N-Benzoyl-1-cyano-1,2-dihydro isoquinoline;D95975;A840780;SR-01000389707;SR-01000389707-1;SR-01000389707-2;2-(phenylcarbonyl)-1,2-dihydroisoquinoline-1-carbonitrile

Suppliers and Price of 2-Benzoyl-1,2-dihydroisoquinoline-1-carbonitrile

Supply Marketing:Edit

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 38 raw suppliers

Chemical Property of 2-Benzoyl-1,2-dihydroisoquinoline-1-carbonitrile Edit

Chemical Property:

Vapor Pressure:9.46E-11mmHg at 25°C
Refractive Index:1.671
Boiling Point:515.9 °C at 760 mmHg
Flash Point:265.8 °C
PSA：44.10000
Density:1.27 g/cm³
LogP:3.31588
XLogP3:3
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:: 98%,99%, ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(=O)N2C=CC3=CC=CC=C3C2C#N

Technology Process of 2-Benzoyl-1,2-dihydroisoquinoline-1-carbonitrile

There total 13 articles about 2-Benzoyl-1,2-dihydroisoquinoline-1-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: 96.0%

: 119-65-3
isoquinoline

: 2179-92-2
tri-n-butyltin cyanide

: 98-88-4
benzoyl chloride

: 844-25-7,55839-33-3
2-benzoyl-1-cyano-1,2-dihydroisoquinoline

Guidance literature:: aluminium trichloride; In dichloromethane; for 1.5h; Ambient temperature;

Reference yield: 90.0%

: 119-65-3
isoquinoline

: 151-50-8
potassium cyanide

: 98-88-4
benzoyl chloride

: 844-25-7,55839-33-3
2-benzoyl-1-cyano-1,2-dihydroisoquinoline

Guidance literature:: With 18-crown-6 ether; In dichloromethane; for 5h; Ambient temperature;

Reference yield: 85.0%

: 119-65-3
isoquinoline

: 5804-85-3
diethylaluminium cyanide

: 98-88-4
benzoyl chloride

: 844-25-7,55839-33-3
2-benzoyl-1-cyano-1,2-dihydroisoquinoline

Guidance literature:: In dichloromethane; toluene; Product distribution; various ratios of reactants and reaction times; other heterocyclic bases and acid halides;