CAS 459421-23-9

2-[[1-(1-Methylethyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid

Description:

2-[[1-(1-Methylethyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid, with the CAS number 459421-23-9, is a chemical compound that features a benzoic acid moiety linked to a thioether group. This compound is characterized by its unique structure, which includes a pyrrolidine ring that is substituted with a ketone functional group, contributing to its potential reactivity and biological activity. The presence of the thioether linkage suggests that it may exhibit properties typical of sulfur-containing compounds, such as enhanced nucleophilicity. Additionally, the presence of the carboxylic acid group indicates that it can participate in acid-base reactions and may exhibit solubility in polar solvents. This compound may have applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its structural features that could interact with biological targets. However, specific biological activities, toxicity, and environmental impact would require further investigation through empirical studies.

Formula: C₁₄H₁₅NO₄S

InChI: InChI=1S/C14H15NO4S/c1-8(2)15-12(16)7-11(13(15)17)20-10-6-4-3-5-9(10)14(18)19/h3-6,8,11H,7H2,1-2H3,(H,18,19)

InChI key: InChIKey=MRIQQRXUKPABAK-UHFFFAOYSA-N

SMILES: S(C1C(=O)N(C(C)C)C(=O)C1)C2=C(C(O)=O)C=CC=C2

Synonyms:

• 2-[(1-Isopropyl-2,5-dioxopyrrolidin-3-yl)sulfanyl]benzoic acid
• 2-[[1-(1-Methylethyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid
• Benzoic Acid, 2-[[1-(1-Methylethyl)-2,5-Dioxo-3-Pyrrolidinyl]Thio]-

2-[(1-isopropyl-2,5-dioxopyrrolidin-3-yl)thio]benzoic acid

CAS: 459421-23-9

Formula: C₁₄H₁₅NO₄S

Purity: 95.0%

Molecular weight: 293.34

Ref: 10-F315241