3H-Pyrrol-3-one, 4,5-dihydro-5,5-dimethyl-, 1-oxide

Base Information

• Chemical Name: 3H-Pyrrol-3-one, 4,5-dihydro-5,5-dimethyl-, 1-oxide
• CAS No.: 62020-94-4
• Molecular Formula: C6H9NO2
• Molecular Weight: 127.143
• DSSTox Substance ID: DTXSID60423599
• Wikidata: Q82235842
• Mol file: 62020-94-4.mol

Synonyms:62020-94-4;3H-Pyrrol-3-one, 4,5-dihydro-5,5-dimethyl-, 1-oxide;DTXSID60423599;5,5-dimethyl-3-oxo-4,5-dihydro-3h-pyrrole 1-oxide

Chemical Property of 3H-Pyrrol-3-one, 4,5-dihydro-5,5-dimethyl-, 1-oxide

Chemical Property:

• XLogP3: -0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 127.063328530
• Heavy Atom Count: 9
• Complexity: 182

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC(=O)C=[N+]1[O-])C

Technology Process of 3H-Pyrrol-3-one, 4,5-dihydro-5,5-dimethyl-, 1-oxide

There total 4 articles about 3H-Pyrrol-3-one, 4,5-dihydro-5,5-dimethyl-, 1-oxide 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: 63.0%

2,2,6,6-tetramethyl-1,4,dioxopiperidinium perchlorate → 5,5-dimethyl-4,5-dihydro-3H-pyrrol-3-one 1-oxide (62020-94-4) + 4-oxo-2,2,6,6-tetramethylpiperidin-oxyl (45985-26-0,2896-70-0) + acetone (67-64-1)

Guidance literature:

With water; at 25 ℃; for 4h;

DOI:10.1007/s11172-009-0248-3

Reference yield: 26.0%

2,2,6,6-tetramethyl-1,4,dioxopiperidinium perchlorate → 5,5-dimethyl-4,5-dihydro-3H-pyrrol-3-one 1-oxide (62020-94-4) + 4-oxo-2,2,6,6-tetramethylpiperidin-oxyl (45985-26-0,2896-70-0)

Guidance literature:

With perchloric acid; water; at 25 ℃; for 4h;

DOI:10.1007/s11172-009-0248-3

Reference yield: 11.0%

2,2,6,6-tetramethyl-1,4,dioxopiperidinium perchlorate → 5,5-dimethyl-4,5-dihydro-3H-pyrrol-3-one 1-oxide (62020-94-4) + 4-oxo-2,2,6,6-tetramethylpiperidin-oxyl (45985-26-0,2896-70-0) + 2,2,6,6-Tetramethyl-4-oxo-1-hydroxypiperidinium-perchlorat (32889-28-4) + acetone (67-64-1)

Guidance literature:

With perchloric acid; water; at 25 ℃; for 4h; Concentration; Solvent; Kinetics;

DOI:10.1007/s11172-009-0248-3