2-(3-Chlorobenzoyl)-1,2-dihydroisoquinoline-1-carbonitrile

Base Information

Chemical Name:2-(3-Chlorobenzoyl)-1,2-dihydroisoquinoline-1-carbonitrile
CAS No.:94540-21-3
Molecular Formula:C17H11ClN2O
Molecular Weight:294.735
Hs Code.:
NSC Number:131485
DSSTox Substance ID:DTXSID10299584

Synonyms:94540-21-3;2-(3-chlorobenzoyl)-1,2-dihydroisoquinoline-1-carbonitrile;NSC131485;DTXSID10299584;AKOS024378875;NSC-131485

Suppliers and Price of 2-(3-Chlorobenzoyl)-1,2-dihydroisoquinoline-1-carbonitrile

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 5 raw suppliers

Chemical Property of 2-(3-Chlorobenzoyl)-1,2-dihydroisoquinoline-1-carbonitrile

Chemical Property:

Vapor Pressure:2.7E-12mmHg at 25°C
Boiling Point:553.5°Cat760mmHg
Flash Point:288.6°C
Density:1.36g/cm³
XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:294.0559907
Heavy Atom Count:21
Complexity:480

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(N(C=CC2=C1)C(=O)C3=CC(=CC=C3)Cl)C#N

Technology Process of 2-(3-Chlorobenzoyl)-1,2-dihydroisoquinoline-1-carbonitrile

There total 1 articles about 2-(3-Chlorobenzoyl)-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:

: 94540-21-3
2-(3-chloro-benzoyl)-1,2-dihydro-isoquinoline-1-carbonitrile

Guidance literature:: (cyclisches) Hydrofluoroborat (1c), Rueckbildung mit NaOH;
DOI:10.1021/ja00747a024

Reference yield:

: 94540-21-3
2-(3-chloro-benzoyl)-1,2-dihydro-isoquinoline-1-carbonitrile

: 1-amino-3-(3-chloro-phenyl)-oxazolo[4,3-a]isoquinolinylium; tetrafluoroborate

Guidance literature:: With tetrafluoroboric acid; In acetic acid;
DOI:10.1021/ja00747a024

Reference yield:

: 94540-21-3
2-(3-chloro-benzoyl)-1,2-dihydro-isoquinoline-1-carbonitrile

: 33984-87-1
3-(3-chloro-phenyl)-1-imino-11-phenyl-3,10b-etheno-oxazolo[4,3-a]isoquinoline-12-carboxylic acid ethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: HBF₄ / acetic acid

2: dimethylformamide; methanol

With tetrafluoroboric acid; In methanol; acetic acid; N,N-dimethyl-formamide;
DOI:10.1021/ja00747a024