6,7-Dimethoxy-2-methylisoquinoline-1,3,4-trione

Base Information

• Chemical Name: 6,7-Dimethoxy-2-methylisoquinoline-1,3,4-trione
• CAS No.: 38973-41-0
• Molecular Formula: C12H11NO5
• Molecular Weight: 249.223
• DSSTox Substance ID: DTXSID50506042
• Nikkaji Number: J1.579.233G
• Wikidata: Q82361595
• Mol file: 38973-41-0.mol

Synonyms:38973-41-0;6,7-Dimethoxy-2-methylisoquinoline-1,3,4-trione;6,7-dimethoxy-2-methylisoquinoline-1,3,4(2H)-trione;DTXSID50506042;AKOGVJUSAFGQRH-UHFFFAOYSA-N;AKOS005606417;CCG-344838;6,7-dimethoxy-2-methyl-1,3,4(2H)-isoquinolinetrione;6,7-DIMETHOXY-2-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE-1,3,4-TRIONE

Chemical Property of 6,7-Dimethoxy-2-methylisoquinoline-1,3,4-trione

Chemical Property:

• PSA: 72.91000
• LogP: 0.43660
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 249.06372245
• Heavy Atom Count: 18
• Complexity: 394

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1C(=O)C2=CC(=C(C=C2C(=O)C1=O)OC)OC

Technology Process of 6,7-Dimethoxy-2-methylisoquinoline-1,3,4-trione

There total 3 articles about 6,7-Dimethoxy-2-methylisoquinoline-1,3,4-trione 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: 81.0%

4-Hydroxy-6,7-dimethoxy-2-methyl-isochinoliniumchlorid → 5,6-Dimethoxy-3-hydroxy-2-methyl-2,3-dihydro-1H-isoindol-1-on + 1-Hydroxy-6,7-dimethoxy-2-methyl-1,2-dihydro-3,4-isochinolindion (1009737-95-4) + 5,6-Dimethoxy-2-methyl-1H-isoindol-1,3(2H)-dion (92288-92-1) + 1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methyl-isochinolin-1,3,4-trion (38973-41-0)

Guidance literature:

With sodium periodate; In water; at 20 ℃; for 120h;

DOI:10.1515/znb-2007-0217

Reference yield: 19.0%

1-Hydroxy-6,7-dimethoxy-2-methyl-1,2-dihydro-3,4-isochinolindion (1009737-95-4) + 3-oxo-3-phenylpropionic acid (614-20-0) → (E)-1-Benzoylmethylen-6,7-dimethoxy-2-methyl-1,2-dihydro-3,4-isochinolindion + (Z)-1-Benzoylmethylen-6,7-dimethoxy-2-methyl-1,2-dihydro-3,4-isochinolindion + 1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methyl-isochinolin-1,3,4-trion (38973-41-0)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; for 5h; Title compound not separated from byproducts.; Heating;

DOI:10.1515/znb-2007-0217

Reference yield:

laudanosine (1699-51-0,20412-65-1) → 1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methyl-isochinolin-1,3,4-trion (38973-41-0) + (3,4-dimethoxyphenyl)methanol (93-03-8)

Guidance literature:

With acetic anhydride; 3-chloro-benzenecarboperoxoic acid; Yield given. Multistep reaction. Yields of byproduct given; 1.) CH₂Cl₂, 0 deg C, 1 h, 2.) r.t., 4 h;

upstream raw materials:

laudanosine

1-Hydroxy-6,7-dimethoxy-2-methyl-1,2-dihydro-3,4-isochinolindion

3-oxo-3-phenylpropionic acid