4831-43-0

Basic information

• Product Name: 3,3-Dimethyl-2-pyrrolidinone
• Synonyms: 3,3-Dimethyl-2-pyrrolidinone;3,3-dimethyl-2-pyrrolidinone(SALTDATA: FREE);2-Pyrrolidinone, 3,3-diMethyl-;3,3-dimethylpyrrolidin-2-one;3,3-Dimethyl-2-oxopyrrolidine;3,3-Dimethyl-2-pyrrolidone
• CAS NO: 4831-43-0
• Molecular Formula: C₆H₁₁NO
• Molecular Weight: 113
• Mol File: 4831-43-0.mol
• Article Data: 15

Chemical Properties

• Melting Point: 66°C
• Boiling Point: 211.9°C (rough estimate)
• Appearance: /
• Density: 1.0223 (rough estimate)
• Refractive Index: 1.4650 (estimate)
• Storage Temp.: 2-8°C
• PKA: 16.70±0.40(Predicted)
• CAS DataBase Reference: 3,3-Dimethyl-2-pyrrolidinone(CAS DataBase Reference)
• NIST Chemistry Reference: 3,3-Dimethyl-2-pyrrolidinone(4831-43-0)
• EPA Substance Registry System: 3,3-Dimethyl-2-pyrrolidinone(4831-43-0)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 4831-43-0(Hazardous Substances Data)

Usage

General Description

3,3-Dimethyl-2-pyrrolidinone is a type of organic compound with a five-membered lactam structure. It is soluble in water and organic solvent, and can be used as a solvent itself in various industrial applications including the production of polymers and resins, petrochemical processing, and the manufacturing of pharmaceuticals and agrochemicals. This chemical exhibits important properties, such as high boiling point, good thermal and chemical stability, and low volatility, making it a desirable choice for many chemical reactions. However, it poses potential health risks if inhaled, ingested, or comes in contact with the skin and eyes, therefore, protection is necessary when handling this chemical.

Upstream product

• 121103-60-4 3,3-dimethyl-5-thioxopyrrolidin-2-one 
• 14468-90-7 N-trimethylsilyl-pyrrolidin-2-one 
• 74-88-4 methyl iodide 
• 153039-16-8 tert-butyl 3,3-dimethyl-2-oxo-pyrrolidine-1-carboxylate 
• 924884-26-4 1-[(1,1-dimethylethyl)(dimethyl)silyl]-3,3-dimethyl-2-pyrrolidinone 
• 195447-78-0 3,3-dimethyl-2-oxo-1-pyrrolidinecarboxylic acid, 1,1-dimethylethyl ester, hydrochloride 
• 3437-29-4 3,3-dimethylpyrrolidine-2,5-dione 
• 7646-66-4 N-benzoylaziridine 
• 97-62-1 Ethyl isobutyrate 

Downstream Products

• 127103-83-7 3,3-dimethylpyrrolidine-2-thione 
• 195447-24-6 N-(3,4-Dimethyl-5-isoxazolyl)-2'-[(3,3-dimethyl-2-oxo-1-pyrrolidinyl)methyl]-N-?((2-methoxyethoxy)methyl)-4'-(2-oxazolyl)[1,1'-biphenyl]-2-sulfonamid 
• 153039-16-8 tert-butyl 3,3-dimethyl-2-oxo-pyrrolidine-1-carboxylate 
• 742067-40-9 1-(4-hydroxy-phenyl)-3,3-dimethyl-pyrrolidin-2-one 
• 924884-28-6 benzyl 3,3-dimethyl-2-oxo-1-pyrrolidinecarboxylate 
• 1458027-39-8 3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methyl-3-phenylindolin-2-one 
• 1458027-25-2 2-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-N-methyl-N,2-diphenylacetamide 

Relevant articles and documents

Effect of Differential Geminal Substitution of γAmino Acid Residues at the (i + 2) Position of αγTurn Segments on the Conformation of Template β-Hairpin Peptides

The effect of insertion of three geminally dimethyl substituted γamino acid residues [γ2,2 (4-amino-2,2-dimethylbutanoic acid), γ3,3 (4-amino-3,3-dimethylbutanoic acid), and γ4,4 (4-amino-4,4-dimethylbutanoic acid)] at the (i + 2) position of a two-residue αγC12 turn segment in a model octapeptide sequence Leu-Phe-Val-Aib-Xxx-Leu-Phe-Val (where Xxx = γamino acid residues) has been investigated in this study. Solution conformational studies (NMR, CD, and IR) and ab initio calculations indicated that γ3,3 and γ4,4 residues were well accommodated in the β-hairpin nucleating αγC12 turns, which gave rise to well-registered hairpins, in contrast to γ2,2, which was unable to form a tight C12 β-hairpin nucleating turn and promote a well-registered β-hairpin. Geminal disubstitution at the Cα carbon in γ2,2 led to unfavorable steric contacts, disabling its accommodation in the αγC12 hairpin nucleating turn unlike the γ3,3 and γ4,4 residues. Geminal substitutions at different carbons along the backbone constrained backbone torsion angles for the three γamino acid residues differently, generating diverse conformational preferences in them. Folded hairpins were energetically more stable (～8 to 9 kcal/mol) than the unfolded peptides. Conformational preference of the peptides was independent of the N-terminal protecting group. Such fundamental understanding will instrumentalize the future directed design of foldamers.

IRAK DEGRADERS AND USES THEREOF

The present invention provides compounds, compositions thereof, and methods of using the same.

COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF

Provided herein are compounds and methods of synthesis thereof. The compounds set forth herein are useful for the treatment, prevention, and/or management of various disorders, such as neurological disorders, neurodegenerative disorders, neuropsychiatric disorders, disorders of cognition, learning or memory, gastrointestinal disorders, lower urinary tract disorder, and cancer. Compounds set forth herein modulate the activity of metabotropic glutamate receptor 5 (mGluR5) in the central nervous system or the periphery. Pharmaceutical formulations containing the compounds and their methods of use are also provided herein.