3(2H)-Isoquinolinone, 1,4-dihydro-4,4-dimethyl-1-(2-nitrophenyl)-

Base Information

Chemical Name:3(2H)-Isoquinolinone, 1,4-dihydro-4,4-dimethyl-1-(2-nitrophenyl)-
CAS No.:56946-77-1
Molecular Formula:C17H16N2O3
Molecular Weight:296.326
Hs Code.:
DSSTox Substance ID:DTXSID60480905

Synonyms:56946-77-1;3(2H)-Isoquinolinone, 1,4-dihydro-4,4-dimethyl-1-(2-nitrophenyl)-;DTXSID60480905

Suppliers and Price of 3(2H)-Isoquinolinone, 1,4-dihydro-4,4-dimethyl-1-(2-nitrophenyl)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3(2H)-Isoquinolinone, 1,4-dihydro-4,4-dimethyl-1-(2-nitrophenyl)-

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:296.11609238
Heavy Atom Count:22
Complexity:457

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(C2=CC=CC=C2C(NC1=O)C3=CC=CC=C3[N+](=O)[O-])C

Technology Process of 3(2H)-Isoquinolinone, 1,4-dihydro-4,4-dimethyl-1-(2-nitrophenyl)-

There total 1 articles about 3(2H)-Isoquinolinone, 1,4-dihydro-4,4-dimethyl-1-(2-nitrophenyl)- 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:

: 56946-77-1
4,4-Dimethyl-1-(2'-nitrophenyl)-1,4-dihydro-3(2H)-isoquinolinone

Guidance literature:: /BRN= 519023/, Polyphosphorsaeure;

Reference yield: 92.0%

: 56946-77-1
4,4-Dimethyl-1-(2'-nitrophenyl)-1,4-dihydro-3(2H)-isoquinolinone

: 64097-19-4
1-(2'-Aminophenyl)-4,4-dimethyl-1,4-dihydro-3(2H)-isoquinolinone

Guidance literature:: With hydrogen; palladium on activated charcoal; In acetic acid; for 0.333333h; under 15001.2 - 18751.5 Torr; Ambient temperature;
DOI:10.1002/jhet.5570210424

Reference yield:

: 56946-77-1
4,4-Dimethyl-1-(2'-nitrophenyl)-1,4-dihydro-3(2H)-isoquinolinone

: 93214-16-5
10,10-Dimethyl-6,7,9,10-tetrahydro-5-(2,6-dichloroacetanilido)-5H,14bH-isoquino<2,1-d><1,4>benzodiazepine-6,9-dione

Guidance literature:: Multi-step reaction with 4 steps

1: 92 percent / Hydrogen / Pd/C / acetic acid / 0.33 h / 15001.2 - 18751.5 Torr / Ambient temperature

2: 90 percent / Triethylamine / acetic acid / 6 h / 50 - 55 °C

3: 80 percent / Sodium hydride, sodium hydroxide / dimethylsulfoxide / 1.5 h / 32 - 35 °C

4: 35 percent / Sodium hydride / dimethylsulfoxide; dimethylformamide / 4 h / 75 - 80 °C

With sodium hydroxide; hydrogen; sodium hydride; triethylamine; palladium on activated charcoal; In acetic acid; dimethyl sulfoxide; N,N-dimethyl-formamide;
DOI:10.1002/jhet.5570210424