2-Benzoyl-1-benzylisoquinoline-1-carbonitrile

Base Information

Chemical Name:2-Benzoyl-1-benzylisoquinoline-1-carbonitrile
CAS No.:16576-35-5
Molecular Formula:C24H18N2O
Molecular Weight:350.42
Hs Code.:
DSSTox Substance ID:DTXSID80391468
Nikkaji Number:J469.916E
ChEMBL ID:CHEMBL1423504
Mol file:16576-35-5.mol

Synonyms:2-benzoyl-1-benzylisoquinoline-1-carbonitrile;2-benzoyl-1-benzyl-1,2-dihydro-1-isoquinolinecarbonitrile;16576-35-5;AQ-405/42300327;SMR000161722;MLS000537448;CHEMBL1423504;DTXSID80391468;HMS2165M16;HMS3321N03;1-Benzyl-2-benzoyl-1,2-dihydroisoquinoline-1-carbonitrile;2-benzoyl-1-benzyl-1,2-dihydroisoquinoline-1-carbonitrile

Suppliers and Price of 2-Benzoyl-1-benzylisoquinoline-1-carbonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of 2-Benzoyl-1-benzylisoquinoline-1-carbonitrile

Chemical Property:

PSA：44.10000
LogP:4.71278
XLogP3:4.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:350.141913202
Heavy Atom Count:27
Complexity:605

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CC2(C3=CC=CC=C3C=CN2C(=O)C4=CC=CC=C4)C#N

Technology Process of 2-Benzoyl-1-benzylisoquinoline-1-carbonitrile

There total 5 articles about 2-Benzoyl-1-benzylisoquinoline-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: 92.0%

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

: 100-39-0
benzyl bromide

: 16576-35-5
2-benzoyl-1-benzyl-1,2-dihydroisoquinoline-1-carbonitrile

Guidance literature:: With sodium hydroxide; cetyltrimethylammonim bromide; In benzene; for 5h;
DOI:10.1007/s00706-003-0013-5

Reference yield: 85.0%

: 6907-59-1
1-benzylisoquinoline

: 7677-24-9
trimethylsilyl cyanide

: 98-88-4
benzoyl chloride

: 16576-35-5
2-benzoyl-1-benzyl-1,2-dihydroisoquinoline-1-carbonitrile

Guidance literature:: With aluminium trichloride; In dichloromethane; Ambient temperature;
DOI:10.1021/jo00028a064

Reference yield: 60.0%

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

: 100-44-7
benzyl chloride

: 16576-35-5
2-benzoyl-1-benzyl-1,2-dihydroisoquinoline-1-carbonitrile

Guidance literature:: With sodium hydroxide; tetrabutyl-ammonium chloride; In dichloromethane; for 0.333333h; Ambient temperature; ultrasound sonication;