4,4-Diallyl-1,3(2H,4H)-isoquinolinedione

Base Information

• Chemical Name: 4,4-Diallyl-1,3(2H,4H)-isoquinolinedione
• CAS No.: 41058-61-1
• Molecular Formula: C15H15NO2
• Molecular Weight: 241.2851
• DSSTox Substance ID: DTXSID50961415
• Nikkaji Number: J68.845B
• Mol file: 41058-61-1.mol

Synonyms:Diallylhomophthalimide;Dwuallilohomoftalimidu [Polish];Dwuallilohomoftalimidu;4,4-Diallyl-1,3(2H,4H)-isoquinolinedione;BRN 0180887;1,3(2H,4H)-ISOQUINOLINEDIONE, 4,4-DIALLYL-;Imid kwasu alpha,alpha-dwuallilohomoftalowego [Polish];41058-61-1;Imid kwasu alpha,alpha-dwuallilohomoftalowego;4-21-00-05545 (Beilstein Handbook Reference);Diallylhomophthalimid;DTXSID50961415;LS-85647;4,4-Diallylisoquinoline-1(2H),3(4H)-dione;1-Hydroxy-4,4-di(prop-2-en-1-yl)isoquinolin-3(4H)-one

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

Chemical Property:

• Vapor Pressure: 1.3E-06mmHg at 25°C
• Boiling Point: 400.1°Cat760mmHg
• Flash Point: 154.6°C
• Density: 1.086g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 241.110278721
• Heavy Atom Count: 18
• Complexity: 376

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCC1(C2=CC=CC=C2C(=O)NC1=O)CC=C

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

There total 2 articles about 4,4-Diallyl-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:

4H-isoquinolin-1,3-dione (4456-77-3) + 3-chloroprop-1-ene (107-05-1) → Diallylhomophthalid (41058-61-1)

Guidance literature:

With sodium hydroxide; ethanol; water;

DOI:10.1021/ja01225a021

Reference yield:

allyl iodid (556-56-9) + 4H-isoquinolin-1,3-dione (4456-77-3) → Diallylhomophthalid (41058-61-1)

Guidance literature:

With sodium ethanolate;

upstream raw materials:

allyl iodid

4H-isoquinolin-1,3-dione

3-chloroprop-1-ene