66899-02-3

Basic information

• Product Name: 4,4-dimethyl-2-pyrrolidinone
• Synonyms: 4,4-dimethyl-2-pyrrolidinone;4,4-diMethylpyrrolidin-2-one;4,4-Dimethyl-2-pyrrolidone;2-pyrrolidinone, 4,4-dimethyl-;2-PYRROLIDONE,4,4-DIMETHYL
• CAS NO: 66899-02-3
• Molecular Formula: C₆H₁₁NO
• Molecular Weight: 113.16
• Mol File: 66899-02-3.mol
• Article Data: 9

Chemical Properties

• Melting Point: 38-40°
• Boiling Point: 150-155℃ (18 Torr)
• Flash Point: 121.7°C
• Appearance: White to cream/Solid
• Density: 0.945g/cm³
• Vapor Pressure: 0.0704mmHg at 25°C
• Refractive Index: 1.435
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 16.70±0.40(Predicted)
• Water Solubility: Sparingly soluble in water.(0.26 g/L) (25°C),
• Sensitive: Air Sensitive
• CAS DataBase Reference: 4,4-dimethyl-2-pyrrolidinone(CAS DataBase Reference)
• NIST Chemistry Reference: 4,4-dimethyl-2-pyrrolidinone(66899-02-3)
• EPA Substance Registry System: 4,4-dimethyl-2-pyrrolidinone(66899-02-3)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 66899-02-3(Hazardous Substances Data)

Usage

Uses

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

InChI:InChI=1/C6H11NO/c1-6(2)3-5(8)7-4-6/h3-4H2,1-2H3,(H,7,8)

Upstream product

• 195447-82-6 4-amino-3,3-dimethylbutanoic acid ethyl ester 
• 638-10-8 ethyl 3-methylbut-2-enoate 
• 924-50-5 Methyl 3,3-dimethylacrylate 
• 34687-04-2 methyl 3,3-dimethyl-4-nitrobutanoate 
• 130912-54-8 3,3-dimethyl-4-nitro-butyric acid ethyl ester 
• 89775-82-6 4,4-dimethyl-2-oxo-pyrrolidine-3-carboxylic acid 

Downstream Products

• 93427-63-5 4,4-dimethyl-1-(4-nitro-benzoyl)-pyrrolidin-2-one 
• 1338491-87-4 1-[5-(4-fluoro-phenylethynyl)pyrimidin-2-yl]-4,4-dimethyl-pyrrolidin-2-one 
• 1310680-18-2 4-[((tert-butoxy)carbonyl)amino]-3,3-dimethylbutanoic acid 
• 898552-53-9 1-{4-[2-(4-chloro-phenyl)-6-oxo-4-thioxo-6H-1-oxa-3b,5-diaza-cyclopenta[a]pentalen-5-yl]-3,3-dimethyl-butyryl}-pyrrolidine-2-carboxylic acid 
• 898552-51-7 ({4-[2-(4-Chloro-phenyl)-6-oxo-4-thioxo-6H-1-oxa-3b,5-diaza-cyclopenta[a]pentalen-5-yl]-3,3-dimethyl-butyryl}-methyl-amino)-acetic acid methyl ester 
• 898552-43-7 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-oxo-4H-benzo[d][1,2,3]triazin-3-yl ester 
• 898552-50-6 {4-[2-(4-Chloro-phenyl)-6-oxo-4-thioxo-6H-1-oxa-3b,5-diaza-cyclopenta[a]pentalen-5-yl]-3,3-dimethyl-butyrylamino}-acetic acid tert-butyl ester 
• 898552-47-1 2-(4-Chloro-phenyl)-5-[2,2-dimethyl-4-(4-methyl-piperazin-1-yl)-4-oxo-butyl]-4-thioxo-4,5-dihydro-1-oxa-3b,5-diaza-cyclopenta[a]pentalen-6-one 
• 898552-46-0 4-[2-(4-Chloro-phenyl)-6-oxo-4-thioxo-6H-1-oxa-3b,5-diaza-cyclopenta[a]pentalen-5-yl]-N-(3-dimethylamino-propyl)-3,3-dimethyl-butyramide 
• 898552-48-2 2-(4-Chloro-phenyl)-5-(2,2-dimethyl-4-morpholin-4-yl-4-oxo-butyl)-4-thioxo-4,5-dihydro-1-oxa-3b,5-diaza-cyclopenta[a]pentalen-6-one 
• 898552-49-3 {4-[2-(4-Chloro-phenyl)-6-oxo-4-thioxo-6H-1-oxa-3b,5-diaza-cyclopenta[a]pentalen-5-yl]-3,3-dimethyl-butyrylamino}-acetic acid 
• 898552-52-8 ({4-[2-(4-Chloro-phenyl)-6-oxo-4-thioxo-6H-1-oxa-3b,5-diaza-cyclopenta[a]pentalen-5-yl]-3,3-dimethyl-butyryl}-methyl-amino)-acetic acid 
• 898552-45-9 4-[2-(4-Chloro-phenyl)-6-oxo-4-thioxo-6H-1-oxa-3b,5-diaza-cyclopenta[a]pentalen-5-yl]-N-(2-dimethylamino-ethyl)-3,3-dimethyl-butyramide 
• 898552-40-4 N-hydroxy-3,3-dimethyl-4-[2-(4-nitro-phenyl)-6-oxo-4-thioxo-6H-1-oxa-3b,5-diaza-cyclopenta[a]pentalen-5-yl]-butyramide 

Relevant articles and documents

Pyridineacetamide derivative serving as CDK inhibitor, and preparation method and application thereof

The invention belongs to the technical field of pyridineacetamide derivatives, and particularly relates to a pyridineacetamide derivative serving as a CDK inhibitor and a preparation method and application of the pyridine acetamide derivative. The pyridineacetamide derivative shows excellent CDK9/CDK7 enzyme inhibitory activity, and can be used for preparing drugs used for treating cancers, especially hematologic cancers including acute myeloid leukemia, multiple myeloma, chronic lymphocytic leukemia, follicular lymphoma and the like and solid tumors such as breast cancer, prostate cancer, ovarian cancer, hepatocellular carcinoma, pancreatic cancer, kidney cancer, stomach cancer, colorectal cancer, lung cancer and the like.

Structural insight into hybrid peptide ?-helices

Unique ?-helical organizations (11-helices) from β,γ-hybrid peptides composed of chiral β3-amino acids along with achiral 3,3- or 4,4-dimethyl substituted γ-amino acids are disclosed.

Selective formation of γ-lactams via C-H amidation enabled by tailored iridium catalysts

Intramolecular insertion of met al nitrenes into carbon-hydrogen bonds to form γ-lactam rings has traditionally been hindered by competing isocyanate formation. We report the application of theory and mechanism studies to optimize a class of pentamethylcyclopentadienyl iridium(III) catalysts for suppression of this competing pathway. Modulation of the stereoelectronic properties of the auxiliary bidentate ligands to be more electron-donating was suggested by density functional theory calculations to lower the C-H insertion barrier favoring the desired reaction. These catalysts transform a wide range of 1,4,2-dioxazol-5-ones, carbonylnitrene precursors easily accessible from carboxylic acids, into the corresponding γ-lactams via sp3 and sp2 C-H amidation with exceptional selectivity. The power of this method was further demonstrated by the successful late-stage functionalization of amino acid derivatives and other bioactive molecules.