Benzo[f]isoquinolin-4(3H)-one

Base Information

Chemical Name:Benzo[f]isoquinolin-4(3H)-one
CAS No.:30081-63-1
Molecular Formula:C₁₃H₉NO
Molecular Weight:195.221
Hs Code.:2933990090
DSSTox Substance ID:DTXSID20590574
Wikidata:Q82484221
Mol file:30081-63-1.mol

Synonyms:Benzo[f]isoquinolin-4(3H)-one;30081-63-1;Benz[f]isoquinolin-4(3H)-one;3H-benzo[f]isoquinolin-4-one;azaphenanthrenone;SCHEMBL13169229;DTXSID20590574;3H,4H-benzo[f]isoquinolin-4-one;CS-D0172;MFCD02179770;AKOS006278536;AS-30955;DB-047700;A820183;J-519737;J-650059

Suppliers and Price of Benzo[f]isoquinolin-4(3H)-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

TRC
Benzo[F]isoquinolin-4(3H)-one
50mg
$ 200.00

Crysdot
Benzo[f]isoquinolin-4(3H)-one 97%
1g
$ 571.00

Alichem
Benzo[f]isoquinolin-4(3H)-one
5g
$ 2274.60

AK Scientific
BENZO[F]ISOQUINOLIN-4(3H)-ONE
500mg
$ 1004.00

AHH
Benzo[f]isoquinolin-4(3H)-one 97%
0.5g
$ 385.00

Total 10 raw suppliers

Chemical Property of Benzo[f]isoquinolin-4(3H)-one

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Refractive Index:1.685
Boiling Point:476.3°Cat760mmHg
Flash Point:281.8°C
PSA：32.86000
Density:1.249g/cm³
LogP:2.68130
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:195.068413911
Heavy Atom Count:15
Complexity:297

Purity/Quality:

97% ^*data from raw suppliers

Benzo[F]isoquinolin-4(3H)-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C=CC3=C2C=CNC3=O

Technology Process of Benzo[f]isoquinolin-4(3H)-one

There total 3 articles about Benzo[f]isoquinolin-4(3H)-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: 91.0%

: (E)-1-(2-ethoxyvinyl)-2-naphthonitrile

: 30081-63-1
3,4-Dihydrobenzoisoquinolin-4-one

Guidance literature:: With hydrido(dimethylphosphinous acid-κP)[hydrogen bis(dimethylphosphinito-κP)]platinum(II); In ethanol; water; Reflux;
DOI:10.1021/acs.joc.1c00472

Reference yield:

: C₁₁H₆IN

: 30081-63-1
3,4-Dihydrobenzoisoquinolin-4-one

Guidance literature:: Multi-step reaction with 2 steps

1: bis(dibenzylideneacetone)-palladium⁽⁰⁾; potassium carbonate; tricyclohexylphosphine / 1,4-dioxane; water / 4 h / 80 °C

2: hydrido(dimethylphosphinous acid-κP)[hydrogen bis(dimethylphosphinito-κP)]platinum(II) / water; ethanol / Reflux

With hydrido(dimethylphosphinous acid-κP)[hydrogen bis(dimethylphosphinito-κP)]platinum(II); potassium carbonate; bis(dibenzylideneacetone)-palladium⁽⁰⁾; tricyclohexylphosphine; In 1,4-dioxane; ethanol; water; 1: |Suzuki Coupling;
DOI:10.1021/acs.joc.1c00472