2-Benzyl-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile

Base Information

Chemical Name:2-Benzyl-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile
CAS No.:37039-47-7
Molecular Formula:C17H16N2
Molecular Weight:248.327
Hs Code.:
DSSTox Substance ID:DTXSID50511616
Nikkaji Number:J3.139.034F
Mol file:37039-47-7.mol

Synonyms:37039-47-7;2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-1-carbonitrile;2-BENZYL-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBONITRILE;DTXSID50511616;AKOS015904593;A823506

Suppliers and Price of 2-Benzyl-1,2,3,4-tetrahydroisoquinoline-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 7 raw suppliers

Chemical Property of 2-Benzyl-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile

Chemical Property:

PSA：27.03000
LogP:3.24748
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:248.131348519
Heavy Atom Count:19
Complexity:336

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CN(C(C2=CC=CC=C21)C#N)CC3=CC=CC=C3

Technology Process of 2-Benzyl-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile

There total 10 articles about 2-Benzyl-1,2,3,4-tetrahydroisoquinoline-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%

: 151-50-8
potassium cyanide

: 84500-82-3
2-benzyl-3,4-dihydroisoquinolin-2-ium bromide

: 37039-47-7
2-benzyl-1-cyano-1,2,3,4-tetrahydroisoquinoline bromide

Guidance literature:: In water;
DOI:10.1021/jm00358a010

Reference yield: 91.0%

: 6772-61-8
2-(4-benzylphenyl)-3,4-dihydroisoquinolin-1(2H)-one

: 10442-39-4
tetra-n-butylammonium cyanide

: 37039-47-7
2-benzyl-1-cyano-1,2,3,4-tetrahydroisoquinoline bromide

Guidance literature:: 2-(4-benzylphenyl)-3,4-dihydroisoquinolin-1(2H)-one; With sodium hydride; sodium iodide; In tetrahydrofuran; mineral oil; at 40 ℃; for 18h; Inert atmosphere;

tetra-n-butylammonium cyanide; With chloro-trimethyl-silane; In tetrahydrofuran; mineral oil; at 24 ℃; for 4h; Inert atmosphere;
DOI:10.1002/anie.202004272