2-Pyrrolidinone,4-methyl-

Base Information

• Chemical Name: 2-Pyrrolidinone,4-methyl-
• CAS No.: 2996-58-9
• Molecular Formula: C5H9NO
• Molecular Weight: 99.1326
• Hs Code.: 2933790090
• Mol file: 2996-58-9.mol

Synonyms:2-Pyrrolidinone,4-methyl;4-methylpyrrolidin-2one;4-methyl-2-pyrrolidinone;4-Methyl-pyrrolidin-2-on;4-methylpyrrolidone;

Chemical Property of 2-Pyrrolidinone,4-methyl-

Chemical Property:

• Vapor Pressure: 0.0377mmHg at 25°C
• Melting Point: 48-51 °C
• Boiling Point: 240.5oC at 760 mmHg
• PKA: 16.66±0.40(Predicted)
• Flash Point: 127.5oC
• PSA: 29.10000
• Density: 0.979g/cm3
• LogP: 0.47120
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature

Purity/Quality:

99%, ^*data from raw suppliers

4-Methyl-2-pyrrolidone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 4-Methyl-2-pyrrolidone was used in the preparation of iminopyrrolidines as selective inhibitors of human inducible nitric oxide synthase.

Technology Process of 2-Pyrrolidinone,4-methyl-

There total 2 articles about 2-Pyrrolidinone,4-methyl- 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:

4-Methyl-pyrrolidin-2-one; compound with pyrrolidin-2-one → 2-pyrrolidinon (616-45-5) + 4-methyl-2-pyrrolidinone (2996-58-9)

Guidance literature:

In [D₃]acetonitrile; at 25 ℃; Equilibrium constant;

DOI:10.1007/BF02767785

Reference yield:

2-methylenesuccinic acid (97-65-4,25119-64-6) → 3-methyl-2-pyrrolidinone (2555-05-7) + 4-methyl-2-pyrrolidinone (2996-58-9)

Guidance literature:

With ammonium hydroxide; 5%-palladium/activated carbon; hydrogen; In water; at 220 ℃; under 37503.8 Torr; Reagent/catalyst; Pressure; Temperature; Overall yield = 79.2 percentChromat.; Catalytic behavior; Autoclave; Green chemistry;

DOI:10.1039/d0gc01043j

Reference yield: 87.0%

4-methyl-2-pyrrolidinone (2996-58-9) + (2R,5R)-4-benzyl-5-chloromethyl-2-methyl-piperazine-1-carboxylic acid tert-butyl ester (1403902-55-5) → (2R,5S)-4-benzyl-2-methyl-5-(4-methyl-2-oxo-pyrrolidin-1-ylmethyl)piperazine-1-carboxylic acid tert-butyl ester (1605311-65-6)

Guidance literature:

4-methyl-2-pyrrolidinone; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 20 ℃; for 0.5h;

(2R,5R)-4-benzyl-5-chloromethyl-2-methyl-piperazine-1-carboxylic acid tert-butyl ester; In N,N-dimethyl-formamide; mineral oil; at 80 ℃; for 4h;

upstream raw materials:

2-methylenesuccinic acid

Downstream raw materials:

(R,S)-3-methyl-4-aminobutyric acid

2,3-dihydro-2-methyl-3-(phenylmethylene)pyrrolo<2,1-b>quinazoline-9(1H)-one

ethyl 4-(4-methyl-2-oxopyrrolidin-1-yl)benzoate

(2R,5S)-4-benzyl-2-methyl-5-(4-methyl-2-oxo-pyrrolidin-1-ylmethyl)piperazine-1-carboxylic acid tert-butyl ester

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