2-(4-isopropyl-3-methylphenyl)-1,3(2H,4H)-isoquinolinedione

Base Information

Chemical Name:2-(4-isopropyl-3-methylphenyl)-1,3(2H,4H)-isoquinolinedione
CAS No.:183488-98-4
Molecular Formula:C₁₉H₁₉NO₂
Molecular Weight:293.365
Hs Code.:
DSSTox Substance ID:DTXSID301321046
ChEMBL ID:CHEMBL1718414
Mol file:183488-98-4.mol

Synonyms:183488-98-4;2-(4-isopropyl-3-methylphenyl)-1,3(2H,4H)-isoquinolinedione;2-(3-methyl-4-propan-2-ylphenyl)-4H-isoquinoline-1,3-dione;2-[3-methyl-4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-1,3-dione;CHEMBL1718414;DTXSID301321046;HMS2857A07;MFCD00158677;2-(3-METHYL-4-(ISOPROPYL)PHENYL)-2,4-DIHYDROISOQUINOLINE-1,3-DIONE;AKOS005107643;MS-0103;2-(4-ISOPROPYL-3-METHYLPHENYL)-1,3-(2H,4H)-ISOQUINOLINEDIONE

Suppliers and Price of 2-(4-isopropyl-3-methylphenyl)-1,3(2H,4H)-isoquinolinedione

Supply Marketing:

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

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Chemical Property of 2-(4-isopropyl-3-methylphenyl)-1,3(2H,4H)-isoquinolinedione

Chemical Property:

XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:293.141578849
Heavy Atom Count:22
Complexity:445

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(C=CC(=C1)N2C(=O)CC3=CC=CC=C3C2=O)C(C)C

Technology Process of 2-(4-isopropyl-3-methylphenyl)-1,3(2H,4H)-isoquinolinedione

There total 1 articles about 2-(4-isopropyl-3-methylphenyl)-1,3(2H,4H)-isoquinolinedione 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: 80.0%

: 4534-10-5
4-Isopropyl-3-methylaniline

: 703-59-3
homophthalic anhydride

: 183488-98-4
2-(4-Isopropyl-3-methyl-phenyl)-4H-isoquinoline-1,3-dione

Guidance literature:: In xylene; Heating;
DOI:10.1021/jo961135j

Reference yield:

: 183488-98-4
2-(4-Isopropyl-3-methyl-phenyl)-4H-isoquinoline-1,3-dione

: 2-(4-Isopropyl-3-methyl-phenyl)-isoquinoline-1,3,4-trione

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) NaH / 1.) THF, 0 deg C, 15 min, 2.) THF, 0 deg C, 30 min, rt

2: 79 percent / Heating

3: 1.) NaH / 1.) THF, 0 deg C, 1 h, 2.) THF, rt

4: EtONa / ethanol / 0 °C

With sodium ethanolate; sodium hydride; In ethanol;
DOI:10.1021/jo961135j

Reference yield:

: 183488-98-4
2-(4-Isopropyl-3-methyl-phenyl)-4H-isoquinoline-1,3-dione

: 4-Hydroxy-2-(4-isopropyl-3-methyl-phenyl)-1,3-dioxo-1,2,3,4-tetrahydro-isoquinoline-4-carboxylic acid ethyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) NaH / 1.) THF, 0 deg C, 15 min, 2.) THF, 0 deg C, 30 min, rt

2: 79 percent / Heating

3: 1.) NaH / 1.) THF, 0 deg C, 1 h, 2.) THF, rt

4: 61 percent / EtONa / ethanol / 0 °C

With sodium ethanolate; sodium hydride; In ethanol;
DOI:10.1021/jo961135j