1,4-Dihydro-1-(2-aminophenyl)-4,4-dimethyl-3(2H)-isoquinolinone

Base Information

Chemical Name:1,4-Dihydro-1-(2-aminophenyl)-4,4-dimethyl-3(2H)-isoquinolinone
CAS No.:64097-19-4
Molecular Formula:C17H18 N2 O
Molecular Weight:266.343
Hs Code.:
DSSTox Substance ID:DTXSID70982602
ChEMBL ID:CHEMBL3277837

Synonyms:BRN 0416269;1,4-Dihydro-1-(2-aminophenyl)-4,4-dimethyl-3(2H)-isoquinolinone;3(2H)-Isoquinolinone, 1,4-dihydro-1-(2-aminophenyl)-4,4-dimethyl-;64097-19-4;CHEMBL3277837;DTXSID70982602;LS-86206;1-(2-Aminophenyl)-4,4-dimethyl-1,4-dihydroisoquinolin-3-ol

Suppliers and Price of 1,4-Dihydro-1-(2-aminophenyl)-4,4-dimethyl-3(2H)-isoquinolinone

Supply Marketing:

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

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Chemical Property of 1,4-Dihydro-1-(2-aminophenyl)-4,4-dimethyl-3(2H)-isoquinolinone

Chemical Property:

Vapor Pressure:3.49E-09mmHg at 25°C
Boiling Point:474.9°C at 760 mmHg
Flash Point:241°C
Density:1.139g/cm³
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:266.141913202
Heavy Atom Count:20
Complexity:379

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=C3N)C

Technology Process of 1,4-Dihydro-1-(2-aminophenyl)-4,4-dimethyl-3(2H)-isoquinolinone

There total 4 articles about 1,4-Dihydro-1-(2-aminophenyl)-4,4-dimethyl-3(2H)-isoquinolinone 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: 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:

: 5470-47-3
(±)-3-methyl-2-phenylbutyramide

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

Guidance literature:: Multi-step reaction with 2 steps

1: 1) Polyphosphoric acid / 5 h / 77 - 80 °C

2: 92 percent / Hydrogen / Pd/C / acetic acid / 0.33 h / 15001.2 - 18751.5 Torr / Ambient temperature

With PPA; hydrogen; palladium on activated charcoal; In acetic acid;
DOI:10.1002/jhet.5570210424

Reference yield:

: 552-89-6
2-nitro-benzaldehyde

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

Guidance literature:: Multi-step reaction with 2 steps

1: 1) Polyphosphoric acid / 5 h / 77 - 80 °C

2: 92 percent / Hydrogen / Pd/C / acetic acid / 0.33 h / 15001.2 - 18751.5 Torr / Ambient temperature

With PPA; hydrogen; palladium on activated charcoal; In acetic acid;
DOI:10.1002/jhet.5570210424