9H-Imidazo(4,5-H)isoquinolin-9-one, 2-((2,6-dichlorophenyl)amino)-1,8-dihydro-6,7-dimethyl-

Base Information

• Chemical Name: 9H-Imidazo(4,5-H)isoquinolin-9-one, 2-((2,6-dichlorophenyl)amino)-1,8-dihydro-6,7-dimethyl-
• CAS No.: 333455-11-1
• Molecular Formula: C₁₈H₁₄Cl₂N₄O
• Molecular Weight: 373.241
• UNII: 0U6QL95YQD
• Nikkaji Number: J1.811.279E
• Wikidata: Q27237262
• Pharos Ligand ID: C8PPYJKQZS15
• ChEMBL ID: CHEMBL27085
• Mol file: 333455-11-1.mol

Synonyms:BIRA-0596;UNII-0U6QL95YQD;0U6QL95YQD;CHEMBL27085;9H-Imidazo(4,5-H)isoquinolin-9-one, 2-((2,6-dichlorophenyl)amino)-1,8-dihydro-6,7-dimethyl-;333455-11-1;SCHEMBL676660;SCHEMBL4960262;YDEDKRCWCCZXBE-UHFFFAOYSA-N;BDBM50116391;Q27237262;2-(2,6-Dichloro-phenylamino)-6,7-dimethyl-1,8-dihydro-imidazo[4,5-h]isoquinolin-9-one;2-(2,6-Dichlorophenylamino)-6,7-dimethyl-1,8-dihydro-imidazo[4,5-h]isoquinoline-9-one;2-(2,6-Dichlorophenylamino)-6,7-dimethyl-8,9-dihydro-1H-imidazo[4,5-h]isoquinoline-9-one

Chemical Property of 9H-Imidazo(4,5-H)isoquinolin-9-one, 2-((2,6-dichlorophenyl)amino)-1,8-dihydro-6,7-dimethyl-

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 372.0544665
• Heavy Atom Count: 25
• Complexity: 573

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(NC(=O)C2=C1C=CC3=C2N=C(N3)NC4=C(C=CC=C4Cl)Cl)C

Technology Process of 9H-Imidazo(4,5-H)isoquinolin-9-one, 2-((2,6-dichlorophenyl)amino)-1,8-dihydro-6,7-dimethyl-

There total 19 articles about 9H-Imidazo(4,5-H)isoquinolin-9-one, 2-((2,6-dichlorophenyl)amino)-1,8-dihydro-6,7-dimethyl- 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: 84.0%

2-(2,6-dichloro-phenylamino)-7-hydroxy-6,6-dimethyl-1,6,7,8-tetrahydro-imidazo[4,5-h]isoquinolin-9-one (333458-25-6) → 2-(2,6-Dichlorophenylamino)-6,7-dimethyl-1,8-dihydro-imidazo[4,5-h]isoquinoline-9-one (333455-11-1)

Guidance literature:

With sulfuric acid; at 20 ℃; for 0.25h;

DOI:10.1021/jm020113o

Reference yield: 84.0%

→ 2-(2,6-Dichlorophenylamino)-6,7-dimethyl-1,8-dihydro-imidazo[4,5-h]isoquinoline-9-one (333455-11-1)

Guidance literature:

Reference yield: 72.0%

2-[4-cyano-2-(2,6-dichloro-phenylamino)-3H-benzoimidazol-5-yl]-2-methyl-3-oxo-butyric acid ethyl ester (500735-21-7) → 2-(2,6-Dichlorophenylamino)-6,7-dimethyl-1,8-dihydro-imidazo[4,5-h]isoquinoline-9-one (333455-11-1)

Guidance literature:

With sulfuric acid; In water; acetic acid; Heating;

DOI:10.1016/S0040-4039(02)01802-6

upstream raw materials:

2-(2,6-dichloro-phenylamino)-7-hydroxy-6,6-dimethyl-1,6,7,8-tetrahydro-imidazo[4,5-h]isoquinolin-9-one

2-[4-cyano-2-(2,6-dichloro-phenylamino)-3H-benzoimidazol-5-yl]-2-methyl-3-oxo-butyric acid ethyl ester

2,6-dichlorophenylisothiocyanate

2-(3,4-diamino-2-cyanophenyl)-2-methyl-3-oxobutyric acid ethyl ester