6-(Benzyloxy)-3,4-dihydroisoquinolin-1(2H)-one

Base Information

Chemical Name:6-(Benzyloxy)-3,4-dihydroisoquinolin-1(2H)-one
CAS No.:164147-66-4
Molecular Formula:C₁₆H₁₅NO₂
Molecular Weight:253.301
Hs Code.:
DSSTox Substance ID:DTXSID20441491
Nikkaji Number:J896.395I
Wikidata:Q82258272

Synonyms:164147-66-4;6-(BENZYLOXY)-3,4-DIHYDROISOQUINOLIN-1(2H)-ONE;6-phenylmethoxy-3,4-dihydro-2H-isoquinolin-1-one;1(2H)-ISOQUINOLINONE, 3,4-DIHYDRO-6-(PHENYLMETHOXY)-;SCHEMBL4415080;DTXSID20441491;A810539

Suppliers and Price of 6-(Benzyloxy)-3,4-dihydroisoquinolin-1(2H)-one

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 6-(Benzyloxy)-3,4-dihydroisoquinolin-1(2H)-one

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:253.110278721
Heavy Atom Count:19
Complexity:312

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CNC(=O)C2=C1C=C(C=C2)OCC3=CC=CC=C3

Technology Process of 6-(Benzyloxy)-3,4-dihydroisoquinolin-1(2H)-one

There total 2 articles about 6-(Benzyloxy)-3,4-dihydroisoquinolin-1(2H)-one 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: 98.0%

: 22245-98-3
6-hydroxy-3,4-dihydro-2H-isoquinolin-1-one

: 100-39-0
benzyl bromide

: 164147-66-4
6-(benzyloxy)-3,4-dihydroisoquinolin-1(2H)-one

Guidance literature:: With potassium carbonate; In acetone; for 16h; Heating;
DOI:10.1021/jm9701076

Reference yield:

: 22246-12-4
6-methoxy-1,2,3,4-tetrahydro-1-oxoisoquinoline

: 164147-66-4
6-(benzyloxy)-3,4-dihydroisoquinolin-1(2H)-one

Guidance literature:: Multi-step reaction with 2 steps

1: boron tribromide / dichloromethane; n-heptane / 1.5 h / 20 °C

2: potassium carbonate / N,N-dimethyl-formamide / 24 h / 20 °C

With boron tribromide; potassium carbonate; In n-heptane; dichloromethane; N,N-dimethyl-formamide;

Reference yield: 78.0%

: 109-70-6
1.3-chlorobromopropane

: 164147-66-4
6-(benzyloxy)-3,4-dihydroisoquinolin-1(2H)-one

: 6-benzyloxy-2-(3-chloropropyl)-3,4-dihydroisoquinolin-(2H)-1-one

Guidance literature:: 6-(benzyloxy)-3,4-dihydroisoquinolin-1(2H)-one; With sodium hydride; In N,N-dimethyl-formamide; for 0.25h; Cooling with ice;

1.3-chlorobromopropane; at 20 ℃; for 1h;
DOI:10.1021/acs.molpharmaceut.7b00825