1-acetyl-4-methyl-2,5-dihydro-1H-pyrrol-2-one

Base Information

• Chemical Name: 1-acetyl-4-methyl-2,5-dihydro-1H-pyrrol-2-one
• CAS No.: 34581-92-5
• Molecular Formula: C7H9 N O2
• Molecular Weight: 139.154
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40379323
• Wikidata: Q82169077
• Mol file: 34581-92-5.mol

Synonyms:1-acetyl-4-methyl-2,5-dihydro-1H-pyrrol-2-one;34581-92-5;1-acetyl-3-methyl-2H-pyrrol-5-one;1-Acetyl-4-methyl-1H-pyrrol-2(5H)-one;DTXSID40379323;MFCD00173863;AKOS006227608;MS-22021;FT-0607283;1-acetyl-1,5-dihydro-4-methyl-2h-pyrrol-2-one;J-504161

Chemical Property of 1-acetyl-4-methyl-2,5-dihydro-1H-pyrrol-2-one

Chemical Property:

• Vapor Pressure: 0.00916mmHg at 25°C
• Melting Point: 89 °C
• Boiling Point: 265.4°Cat760mmHg
• PKA: -1.79±0.40(Predicted)
• Flash Point: 121.4°C
• PSA: 37.38000
• Density: 1.171g/cm³
• LogP: 0.25930
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 139.063328530
• Heavy Atom Count: 10
• Complexity: 218

Purity/Quality:

99% ^*data from raw suppliers

1-ACETYL-4-METHYL-2,5-DIHYDRO-1H-PYRROL-2-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)N(C1)C(=O)C

Technology Process of 1-acetyl-4-methyl-2,5-dihydro-1H-pyrrol-2-one

There total 1 articles about 1-acetyl-4-methyl-2,5-dihydro-1H-pyrrol-2-one 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:

acetic anhydride (108-24-7) → 1-acetyl-4-methyl-1,5-dihydro-pyrrol-2-one (34581-92-5)

Guidance literature:

Reference yield: 90.0%

1-acetyl-4-methyl-1,5-dihydro-pyrrol-2-one (34581-92-5) → 1-acetyl-5-bromo-4-methyl-1,5-dihydropyrrol-2-one (126680-44-2)

Guidance literature:

With N-Bromosuccinimide; In tetrachloromethane; Irradiation;

DOI:10.1016/S0040-4020(01)85124-3

Reference yield:

1-acetyl-4-methyl-1,5-dihydro-pyrrol-2-one (34581-92-5) → 3a-methyl-3,3a,8,8a-tetrahydropyrrolo<2,3b>indol-2-one (126680-47-5)

Guidance literature:

Multi-step reaction with 4 steps

1: 90 percent / NBS / CCl₄ / Irradiation

2: 73 percent / K₂CO₃ / acetonitrile / 20 h / Ambient temperature

3: 97 percent / sodium formate, tetra-n-butylammonium chloride, bis(acetonitrile)palladium dichloride / dimethylformamide / 1.) r.t., 10 min; 2.) 30 min, 90 deg C

4: 90 percent / silica gel / methanol / 144 h / Ambient temperature

With dichloro bis(acetonitrile) palladium(II); N-Bromosuccinimide; tetrabutyl-ammonium chloride; sodium formate; silica gel; potassium carbonate; In methanol; tetrachloromethane; N,N-dimethyl-formamide; acetonitrile;

DOI:10.1016/S0040-4020(01)85124-3

upstream raw materials:

acetic anhydride

Downstream raw materials:

4-methyl-2,5-dihydro-1H-pyrrol-2-one

1-acetyl-5-bromo-4-methyl-1,5-dihydropyrrol-2-one

3a-methyl-3,3a,8,8a-tetrahydropyrrolo<2,3b>indol-2-one

1-acetyl-3a-methyl-3,3a,8,8a-tetrahydropyrrolo<2,3b>indol-2-one