1,3-Dimethylpyrrolidine-2,5-dione

Base Information

• Chemical Name: 1,3-Dimethylpyrrolidine-2,5-dione
• CAS No.: 15542-96-8
• Molecular Formula: C6H9 N O2
• Molecular Weight: 127.143
• Hs Code.: 2925190090
• European Community (EC) Number: 239-591-7
• DSSTox Substance ID: DTXSID40935206
• Nikkaji Number: J317.956G
• Mol file: 15542-96-8.mol

Synonyms:1,3-Dimethylpyrrolidine-2,5-dione;15542-96-8;EINECS 239-591-7;N-methyl-3-methylsuccinimide;SCHEMBL2021592;DTXSID40935206;1,3-dimethyl-2,5-pyrrolidinedione;2,5-Pyrrolidinedione, N,3-dimethyl;1,3-dimethyl-pyrrolidine-2,5-dione

Chemical Property of 1,3-Dimethylpyrrolidine-2,5-dione

Chemical Property:

• Vapor Pressure: 0.0738mmHg at 25°C
• Boiling Point: 228.3°Cat760mmHg
• PKA: -1.30±0.40(Predicted)
• Flash Point: 100.2°C
• PSA: 37.38000
• Density: 1.127g/cm³
• LogP: -0.05090
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 127.063328530
• Heavy Atom Count: 9
• Complexity: 164

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(=O)N(C1=O)C

Technology Process of 1,3-Dimethylpyrrolidine-2,5-dione

There total 13 articles about 1,3-Dimethylpyrrolidine-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: 100.0%

1,3-dimethyl-1H-pyrrole-2,5-dione (4050-34-4) → 1,3-Dimethyl-2,5-pyrrolidindion (15542-96-8,211682-20-1)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; at 20 ℃; for 3h; under 760.051 Torr; Inert atmosphere;

DOI:10.1002/anie.201601200

Reference yield: 93.0%

NiCH2CH(CH3)CONCH3(P(C6H11)3) → 1,3-Dimethyl-2,5-pyrrolidindion (15542-96-8,211682-20-1) + (tricyclohexylphosphane)Ni(0)(CO)3 (18475-08-6)

Guidance literature:

With carbon monoxide; In diethyl ether; N2 or Ar, stirred for 3 h; filtered; IR, NMR, GC;

DOI:10.1021/ja00545a009

Reference yield: 45.0%

N-methylsuccinimide (1121-07-9) + methyl iodide (74-88-4) → 1,3-Dimethyl-2,5-pyrrolidindion (15542-96-8,211682-20-1)

Guidance literature:

With P-tris(dimethylamino)-C-dimethylphosphonium ylide; In tetrahydrofuran; at 20 ℃; for 2h;

DOI:10.1021/jo9822030

upstream raw materials:

2-methylbutanedioic acid

methylamine

N-methylsuccinimide

methyl iodide

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