2-methylisoquinoline-1,3,4(2H)-trione

Base Information

• Chemical Name: 2-methylisoquinoline-1,3,4(2H)-trione
• CAS No.: 21640-33-5
• Molecular Formula: C10H7 N O3
• Molecular Weight: 189.17
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID90364926
• Nikkaji Number: J258.773D
• Wikidata: Q82149155
• Pharos Ligand ID: FDLHF8V1FQQM
• ChEMBL ID: CHEMBL381480
• Mol file: 21640-33-5.mol

Synonyms:2-methylisoquinoline-1,3,4(2H)-trione;21640-33-5;2-methyl-isoquinoline-1,3,4-trione;2-methylisoquinoline-1,3,4-trione;2-methyl-1,2,3,4-tetrahydroisoquinoline-1,3,4-trione;N-methylphthalonimide;D0FZ7W;CHEMBL381480;Isoquinoline-1,3,4-trione 2a;SCHEMBL13442852;BDBM10248;DTXSID90364926;CS-D0370;MFCD00461449;STK368698;AKOS005444509;2-methyl-1,3,4(2H)-isoquinolinetrione;2-Methylisoquinoline-1,3,4(2H,4H)-trione

Chemical Property of 2-methylisoquinoline-1,3,4(2H)-trione

Chemical Property:

• PSA: 54.45000
• LogP: 0.41940
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 189.042593085
• Heavy Atom Count: 14
• Complexity: 311

Purity/Quality:

NLT 98% ^*data from raw suppliers

2-Methylisoquinoline-1,3,4(2H)-trione 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-methylisoquinoline-1,3,4(2H)-trione

There total 19 articles about 2-methylisoquinoline-1,3,4(2H)-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: 99.0%

N-methyl-3-hydroxyisobenzofuran-1-one-3-carbamide (206664-08-6) → 2-methyl-isoquinoline-1,3,4-trione (21640-33-5)

Guidance literature:

With acetic anhydride; at 100 ℃;

DOI:10.1016/S0040-4020(99)00502-5

Reference yield: 94.0%

2-methyl-3,4-dihydro-2H-isoquinolin-1-one (6772-65-2) → 2-methyl-isoquinoline-1,3,4-trione (21640-33-5)

Guidance literature:

With ruthenium(IV) oxide; sodium periodate; In ethyl acetate; for 1h; Ambient temperature;

DOI:10.1248/cpb.37.3380

Reference yield: 85.0%

2-methyl-1,3(2H,4H)-isoquinolinedione (4494-53-5) → 2-methyl-isoquinoline-1,3,4-trione (21640-33-5)

Guidance literature:

With oxygen; thiamine diphosphate; In pyridine; benzene; for 36h; Irradiation;

DOI:10.1016/S0040-4020(99)00502-5

upstream raw materials:

N-methyl-1,2,3,4-tetrahydroquinoline

2-methyl-2,3-dihydro-1H-isoquinolin-4-one; hydrochloride

2-methyl-3,4-dihydro-2H-isoquinolin-1-one

4-imino-2-methylisoquinoline-1,3(2H,4H)-dione

Downstream raw materials:

N-methylphthalimide

5-methyl-7-picolinoyl-5,6-dihydro-4H-dibenz[de,g]isoquinoline-4,6-dione

7-benzoyl-5-methyl-4H-isoquinolino[5,4-fg]quinoline-4,6(5H)-dione

7-benzoyl-5-methyl-4H-benzo[de]pyrido[4,3-g]isoquinoline-4,6(5H)-dione