3-Methyl-3-(4-nitrophenyl)pyrrolidine-2,5-dione

Base Information

• Chemical Name: 3-Methyl-3-(4-nitrophenyl)pyrrolidine-2,5-dione
• CAS No.: 91091-20-2
• Molecular Formula: C₁₁H₁₀N₂O₄
• Molecular Weight: 234.211
• DSSTox Substance ID: DTXSID101243632
• Mol file: 91091-20-2.mol

Synonyms:91091-20-2;DTXSID101243632;AKOS005920953;3-Methyl-3-(4-nitrophenyl)-2,5-pyrrolidinedione

Chemical Property of 3-Methyl-3-(4-nitrophenyl)pyrrolidine-2,5-dione

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 234.06405680
• Heavy Atom Count: 17
• Complexity: 368

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(CC(=O)NC1=O)C2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 3-Methyl-3-(4-nitrophenyl)pyrrolidine-2,5-dione

There total 3 articles about 3-Methyl-3-(4-nitrophenyl)pyrrolidine-2,5-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:

3-methyl-3-phenyl-pyrrolidine-2,5-dione (1497-17-2) → 3-(4-nitrophenyl)-3-methylpyrrolidine-2,5-dione (91091-20-2)

Guidance literature:

With sulfuric acid; potassium nitrate;

DOI:10.1021/jo01373a010

Reference yield:

(+/-)-2-Methyl-2-phenylbutanedioic acid (14231-67-5,40508-13-2,57572-94-8,34862-03-8) → 3-(4-nitrophenyl)-3-methylpyrrolidine-2,5-dione (91091-20-2)

Guidance literature:

Multi-step reaction with 2 steps

1: water; ammonia

2: sulfuric acid; potassium nitrate

With sulfuric acid; ammonia; water; potassium nitrate;

DOI:10.1021/jo01373a010

Reference yield:

→ 3-(4-nitrophenyl)-3-methylpyrrolidine-2,5-dione (91091-20-2)

Guidance literature:

2-Methyl-2-(4-nitrophenyl)-bernsteinsaeuredinitril, 0.25 n wss.-ethanol. NaOH, Δ, 0.5 h, als Hauptprod.;

upstream raw materials:

3-methyl-3-phenyl-pyrrolidine-2,5-dione

(+/-)-2-Methyl-2-phenylbutanedioic acid

Downstream raw materials:

3-(4-amino-phenyl)-3-methyl-pyrrolidine-2,5-dione