1-(1-Phenylisoquinolin-2(1H)-yl)ethanone

Base Information

Chemical Name:1-(1-Phenylisoquinolin-2(1H)-yl)ethanone
CAS No.:104576-32-1
Molecular Formula:C17H15NO
Molecular Weight:249.312
Hs Code.:
DSSTox Substance ID:DTXSID40547181
Mol file:104576-32-1.mol

Synonyms:104576-32-1;1-(1-Phenylisoquinolin-2(1H)-yl)ethanone;DTXSID40547181;1-(1-Phenylisoquinolin-2(1H)-yl)ethan-1-one

Suppliers and Price of 1-(1-Phenylisoquinolin-2(1H)-yl)ethanone

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 1 raw suppliers

Chemical Property of 1-(1-Phenylisoquinolin-2(1H)-yl)ethanone

Chemical Property:

XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:249.115364102
Heavy Atom Count:19
Complexity:356

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)N1C=CC2=CC=CC=C2C1C3=CC=CC=C3

Technology Process of 1-(1-Phenylisoquinolin-2(1H)-yl)ethanone

There total 3 articles about 1-(1-Phenylisoquinolin-2(1H)-yl)ethanone 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: 85.0%

: 119-65-3
isoquinoline

: 75-36-5
acetyl chloride

: 104576-32-1
1-(1-phenylisoquinolin-2(1H)-yl)ethan-1-one

Guidance literature:: isoquinoline; phenyl metallic reagent (metal - Li or MgX); In tetrahydrofuran; at -78 - 25 ℃; Inert atmosphere;

acetyl chloride; In tetrahydrofuran; at 0 - 25 ℃; for 0.5h; Inert atmosphere;
DOI:10.1021/acs.orglett.1c03054

Reference yield: 63.0%

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

: 108-24-7
acetic anhydride

: 104576-32-1
1-(1-phenylisoquinolin-2(1H)-yl)ethan-1-one

Guidance literature:: With potassium acetate; for 6h; Heating;
DOI:10.1021/jo00372a009

Reference yield:

: 3278-14-6
N-phenethylbenzamide

: 104576-32-1
1-(1-phenylisoquinolin-2(1H)-yl)ethan-1-one

Guidance literature:: Multi-step reaction with 2 steps

1: 90 percent / P₂O₅, POCl₃ / xylene / 3 h / Heating

2: 63 percent / AcOK / 6 h / Heating

With potassium acetate; phosphorus pentoxide; trichlorophosphate; In xylene;
DOI:10.1021/jo00372a009