1,3-Dimethylpyrrolidin-2-one

Base Information

• Chemical Name: 1,3-Dimethylpyrrolidin-2-one
• CAS No.: 19597-07-0
• Molecular Formula: C6H11NO
• Molecular Weight: 113.159
• Hs Code.: 2933790090
• European Community (EC) Number: 691-006-8,812-669-3
• DSSTox Substance ID: DTXSID00941368
• Nikkaji Number: J2.930.321E
• Mol file: 19597-07-0.mol

Synonyms:1,3-dimethylpyrrolidin-2-one;19597-07-0;1,3-dimethylpyrrolid-2-one;Pyrrolidinone, dimethyl-;1,3-Dimethyl-2-pyrrolidinone;BRN 0106899;1,3-Dimethylpyrrolidine-2-one;2-Pyrrolidinone, 1,3-dimethyl-;5-21-06-00436 (Beilstein Handbook Reference);1,3-Dimethyl-2-oxopyrrolidine;dimethylpyrrolidone;60544-40-3;SCHEMBL146924;DTXSID00941368;MFCD01687329;AKOS015951436;AB89901;AM86096;PS-3498;LS-138727;CS-0055119;FT-0717750;F18318;A880114;W-206442

Chemical Property of 1,3-Dimethylpyrrolidin-2-one

Chemical Property:

• Vapor Pressure: 0.376mmHg at 25°C
• Refractive Index: 1.455
• Boiling Point: 197.6 °C at 760 mmHg
• PKA: -0.37±0.40(Predicted)
• Flash Point: 85.2 °C
• PSA: 20.31000
• Density: 0.973 g/cm³
• LogP: 0.42250
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 113.084063974
• Heavy Atom Count: 8
• Complexity: 111

Purity/Quality:

97% ^*data from raw suppliers

1,3-dimethylpyrrolidin-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCN(C1=O)C

Technology Process of 1,3-Dimethylpyrrolidin-2-one

There total 18 articles about 1,3-Dimethylpyrrolidin-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:

2-methylenesuccinic acid (97-65-4,25119-64-6) + methylamine (74-89-5) → 1,3-dimethyl-pyrrolidin-2-one (19597-07-0) + N-methyl-3-methylpyrrolidine (45470-22-2) + 1,4-dimethyl-2-pyrrolidone (2555-04-6) + trimethylamine (75-50-3)

Guidance literature:

With hydrogen; 5% active carbon-supported ruthenium; In water; at 20 - 200 ℃; for 24h; under 37503.8 - 150015 Torr; Product distribution / selectivity; Autoclave;

Reference yield:

2-methylenesuccinic acid (97-65-4,25119-64-6) + methylamine (74-89-5) → 3-methyl-2-pyrrolidinone (2555-05-7) + 1,3-dimethyl-pyrrolidin-2-one (19597-07-0) + 1,4-dimethyl-2-pyrrolidone (2555-04-6) + methyl-succinic acid bis-methylamide + trimethylamine (75-50-3)

Guidance literature:

With hydrogen; 5% rhodium-on-charcoal; In water; at 20 - 200 ℃; for 72h; under 37503.8 - 187519 Torr; Product distribution / selectivity; Autoclave;

Reference yield:

2-methylenesuccinic acid (97-65-4,25119-64-6) + methylamine (74-89-5) → 1,3-dimethyl-pyrrolidin-2-one (19597-07-0) + 1,3-Dimethyl-2,5-pyrrolidindion (15542-96-8,211682-20-1) + 1,4-dimethyl-2-pyrrolidone (2555-04-6)

Guidance literature:

With hydrogen; 5% rhodium-on-charcoal; In water; at 20 ℃; for 24h; under 37503.8 - 150015 Torr; Product distribution / selectivity; Autoclave;

upstream raw materials:

methylamine

3-methyltetrahydro-2-furanone

1-methyl-pyrrolidin-2-one

methyl iodide

Downstream raw materials:

Benzyl-[1,3-dimethyl-pyrrolidin-(2Z)-ylidene]-amine

3-{2-[(Z)-Benzylimino]-1,3-dimethyl-pyrrolidin-3-yl}-propionic acid methyl ester