2-Benzoyl-5-bromo-1-cyano-1,2-dihydroisoquinoline

Base Information

Chemical Name:2-Benzoyl-5-bromo-1-cyano-1,2-dihydroisoquinoline
CAS No.:67335-09-5
Molecular Formula:C17H11BrN2O
Molecular Weight:339.191
Hs Code.:
DSSTox Substance ID:DTXSID40460689

Synonyms:2-benzoyl-5-bromo-1-cyano-1,2-dihydroisoquinoline;67335-09-5;SCHEMBL1014641;DTXSID40460689;LFTWHDQOUYRIJZ-UHFFFAOYSA-N;5-Bromo-2-(phenylcarbonyl)-1,2-dihydro-1-isoquinolinecarbonitrile

Suppliers and Price of 2-Benzoyl-5-bromo-1-cyano-1,2-dihydroisoquinoline

Supply Marketing:

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 3 raw suppliers

Chemical Property of 2-Benzoyl-5-bromo-1-cyano-1,2-dihydroisoquinoline

Chemical Property:

XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:338.00548
Heavy Atom Count:21
Complexity:474

Purity/Quality:: 85.0-99.8% ^*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=C(C2C#N)C=CC=C3Br

Technology Process of 2-Benzoyl-5-bromo-1-cyano-1,2-dihydroisoquinoline

There total 3 articles about 2-Benzoyl-5-bromo-1-cyano-1,2-dihydroisoquinoline 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: 87.0%

: 34784-04-8
5-bromoisoquinoline

: 7677-24-9
trimethylsilyl cyanide

: 98-88-4
benzoyl chloride

: 67335-09-5
2-benzoyl-5-bromo-1-cyano-1,2-dihydroisoquinoline

Guidance literature:: With aluminium trichloride; In dichloromethane; at 30 ℃; for 3h;
DOI:10.1021/jm049025p

Reference yield: 87.0%

: 67335-09-5
2-benzoyl-5-bromo-1-cyano-1,2-dihydroisoquinoline

Guidance literature:

Reference yield:

: 119-65-3
isoquinoline

: 67335-09-5
2-benzoyl-5-bromo-1-cyano-1,2-dihydroisoquinoline

Guidance literature:: Multi-step reaction with 2 steps

1: NBS; H₂SO₄ / -25 - -23 °C

2: 87 percent / aluminum chloride / CH₂Cl₂ / 3 h / 30 °C

With N-Bromosuccinimide; aluminium trichloride; sulfuric acid; In dichloromethane;
DOI:10.1021/jm049025p