3a,7a-Dihydro-4,7-dimethyl-2-phenyl-1H-isoindole-1,3(2H)-dione

Base Information

• Chemical Name: 3a,7a-Dihydro-4,7-dimethyl-2-phenyl-1H-isoindole-1,3(2H)-dione
• CAS No.: 158014-32-5
• Molecular Formula: C16H15NO2
• Molecular Weight: 253.301
• DSSTox Substance ID: DTXSID101177445
• Mol file: 158014-32-5.mol

Synonyms:DTXSID101177445;3a,7a-Dihydro-4,7-dimethyl-2-phenyl-1H-isoindole-1,3(2H)-dione;158014-32-5

Chemical Property of 3a,7a-Dihydro-4,7-dimethyl-2-phenyl-1H-isoindole-1,3(2H)-dione

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 253.110278721
• Heavy Atom Count: 19
• Complexity: 447

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C2C1C(=O)N(C2=O)C3=CC=CC=C3)C

Technology Process of 3a,7a-Dihydro-4,7-dimethyl-2-phenyl-1H-isoindole-1,3(2H)-dione

There total 3 articles about 3a,7a-Dihydro-4,7-dimethyl-2-phenyl-1H-isoindole-1,3(2H)-dione 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: 89.0%

1,7-Dimethyl-10-oxo-4-phenyl-10λ4-thia-4-aza-tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione → N-phenyl-3,6-dimethyl-1,2-dihydrophthalimide (158014-32-5)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In benzene; for 0.5h; Heating;

DOI:10.1246/bcsj.67.1886

Reference yield:

N-phenyl-maleimide (941-69-5) + 1-phenyl-2,5-dimethylarsole (20527-10-0) → N-phenyl-3,6-dimethyl-1,2-dihydrophthalimide (158014-32-5)

Guidance literature:

In dichloromethane; at 20 ℃; for 3h;

DOI:10.1016/S0040-4039(01)83020-3

Reference yield:

1,7-Dimethyl-10-oxo-4-phenyl-10λ4-thia-4-aza-tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione → N-phenyl-3,6-dimethylphthalimide (33739-66-1) + N-phenyl-3,6-dimethyl-1,2-dihydrophthalimide (158014-32-5)

Guidance literature:

With benzophenone; In dichloromethane-d2; for 41h; Product distribution; Irradiation; other thiabicyclo<2.2.1>heptene S-oxides, other solvents; also without sensitizer;

DOI:10.1246/bcsj.67.1886

upstream raw materials:

N-phenyl-maleimide

1-phenyl-2,5-dimethylarsole

Downstream raw materials:

N-phenyl-3,6-dimethylphthalimide