3-Chloro-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Base Information

Chemical Name:3-Chloro-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CAS No.:53661-35-1
Molecular Formula:C₁₆H₁₃ClN₂
Molecular Weight:268.746
Hs Code.:
DSSTox Substance ID:DTXSID601174410

Synonyms:3-chloro-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile;53661-35-1;Oprea1_165716;Oprea1_472242;DTXSID601174410;STL303941;AKOS000345352;CS-0365966;3-chloro-1-phenyl-5,6,7,8-tetrahydro-isoquinoline-4-carbonitrile;3-Chloro-5,6,7,8-tetrahydro-1-phenyl-4-isoquinolinecarbonitrile

Suppliers and Price of 3-Chloro-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-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 2 raw suppliers

Chemical Property of 3-Chloro-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Chemical Property:

XLogP3:4.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:268.0767261
Heavy Atom Count:19
Complexity:355

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CCC2=C(C1)C(=C(N=C2C3=CC=CC=C3)Cl)C#N

Technology Process of 3-Chloro-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

There total 6 articles about 3-Chloro-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-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: 80.3%

: 53661-29-3
3-oxo-1-phenyl-2,3,5,6,7,8-hexahydroiso quinoline-4-carbonitrile

: 53661-35-1
3-chloro-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Guidance literature:: With trichlorophosphate;
DOI:10.1023/A:1023979230025

Reference yield: 37.0%

: 53661-29-3
3-hydroxy-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

: 53661-35-1
3-chloro-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Guidance literature:: With trichlorophosphate; at 160 ℃; for 0.5h; Microwave irradiation;
DOI:10.1016/j.ejmech.2011.11.020

Reference yield:

: 108-94-1,11119-77-0,9003-41-2,9075-99-4
cyclohexanone

: 53661-35-1
3-chloro-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Guidance literature:: Multi-step reaction with 3 steps

1.1: piperidine / benzene / Reflux

1.2: 24 h / Reflux

1.3: 2 h / Reflux

2.1: diethylamine / ethanol / 24 h / 20 °C

3.1: trichlorophosphate / 0.5 h / 160 °C / Microwave irradiation

With piperidine; diethylamine; trichlorophosphate; In ethanol; benzene; 1.1: Stork acylation / 1.2: Stork acylation / 1.3: Stork acylation;
DOI:10.1016/j.ejmech.2011.11.020