4,4-dimethyl-2-pyrrolidinone

Base Information

• Chemical Name: 4,4-dimethyl-2-pyrrolidinone
• CAS No.: 66899-02-3
• Molecular Formula: C6H11NO
• Molecular Weight: 113.159
• Hs Code.: 2933790090
• Mol file: 66899-02-3.mol

Synonyms:4,4-dimethyl-2-pyrrolidinone;4,4-diMethylpyrrolidin-2-one;4,4-Dimethyl-2-pyrrolidone

Chemical Property of 4,4-dimethyl-2-pyrrolidinone

Chemical Property:

• Vapor Pressure: 0.0704mmHg at 25°C
• Melting Point: 38-40°
• Boiling Point: 150-155℃ (18 Torr)
• PKA: 16.70±0.40(Predicted)
• Flash Point: 121.7°C
• PSA: 29.10000
• Density: 0.945g/cm³
• LogP: 0.86130
• Storage Temp.: Sealed in dry,Room Temperature
• Sensitive.: Air Sensitive
• Water Solubility.: Sparingly soluble in water.(0.26 g/L) (25°C),

Purity/Quality:

98% or more ^*data from raw suppliers

4,4-Dimethyl-2-pyrrolidinone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: It is used as pharmaceutical intermediate. Benzoylthiophenes are allosteric enhancers (AE) of agonist activity at the A1 adenosine receptor.

Technology Process of 4,4-dimethyl-2-pyrrolidinone

There total 9 articles about 4,4-dimethyl-2-pyrrolidinone 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: 97.0%

3,3-dimethyl-4-nitro-butyric acid ethyl ester (130912-54-8) → 4,4-dimethylpyrrolidin-2-one (66899-02-3)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; at 110 ℃; for 16h; under 3344.22 Torr;

Reference yield: 47.0%

3-neopentyl-1,4,2-dioxazol-5-one → 4,4-dimethylpyrrolidin-2-one (66899-02-3)

Guidance literature:

With iron(III)phthalocyanine chloride; at 40 ℃; for 12h; Catalytic behavior;

DOI:10.1002/anie.202013499

Reference yield: 25.0%

→ 4,4-dimethylpyrrolidin-2-one (66899-02-3)

Guidance literature:

upstream raw materials:

4,4-dimethyl-2-oxo-pyrrolidine-3-carboxylic acid

3,3-dimethyl-4-nitro-butyric acid ethyl ester

methyl 3,3-dimethyl-4-nitrobutanoate

Methyl 3,3-dimethylacrylate

Downstream raw materials:

4,4-dimethyl-1-(5-phenylethynyl-pyrimidin-2-yl)-pyrrolidin-2-one

ethyl 3,3-dimethyl-4-aminobutanoate hydrochloride

4-[2-(4-chloro-phenyl)-6-oxo-4-thioxo-6H-1-oxa-3b,5-diaza-cyclopenta[a]pentalen-5-yl]-3,3-dimethyl-butyric acid

4-[2-(4-Chloro-phenyl)-6-oxo-4-thioxo-6H-1-oxa-3b,5-diaza-cyclopenta[a]pentalen-5-yl]-3,3-dimethyl-butyric acid ethyl ester

Refernces

• 1、 Kweon, Jeonguk,Chang, Sukbok. "Highly Robust Iron Catalyst System for Intramolecular C(sp3)?H Amidation Leading to γ-Lactams". supporting information. p. 2909 - 2914. Retrieved 2020/12/11.
• 2、 Misra, Rajkumar,George, Gijo,Saseendran, Abhijith,Raghothama, Srinivasarao,Gopi, Hosahudya N.. "Ambidextrous α,γ-Hybrid Peptide Foldamers". . p. 4408 - 4414. Retrieved 2019/11/25.