CAS 36151-44-7

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

Description:

4-(2-Oxopyrrolidin-1-yl)benzoate, with the CAS number 36151-44-7, is a chemical compound that features a benzoate moiety linked to a pyrrolidinone structure. This compound typically exhibits characteristics common to both aromatic and heterocyclic compounds, including potential solubility in organic solvents and moderate stability under standard conditions. The presence of the pyrrolidinone ring suggests that it may participate in hydrogen bonding and exhibit polar characteristics, which can influence its reactivity and interaction with biological systems. The benzoate group contributes to its aromaticity, potentially enhancing its lipophilicity. This compound may be of interest in medicinal chemistry due to its structural features, which could impart biological activity. Additionally, its derivatives might be explored for applications in pharmaceuticals, agrochemicals, or as intermediates in organic synthesis. As with many chemical substances, safety data and handling precautions should be reviewed before use, as the specific properties can vary based on purity and environmental conditions.

Formula: C₁₁H₁₀NO₃

InChI: InChI=1/C11H11NO3/c13-10-2-1-7-12(10)9-5-3-8(4-6-9)11(14)15/h3-6H,1-2,7H2,(H,14,15)/p-1

SMILES: C1CC(=O)N(C1)c1ccc(cc1)C(=O)O

Synonyms:

• Benzoic acid, 4-(2-oxo-1-pyrrolidinyl)-

4-(2-Oxo-pyrrolidin-1-yl)-benzoic acid

CAS: 36151-44-7

Formula: C₁₁H₁₁NO₃

Purity: 97%

Molecular weight: 205.2099

Ref: IN-DA007B8B

4-(2-oxopyrrolidin-1-yl)benzoic acid

CAS: 36151-44-7

Formula: C₁₁H₁₁NO₃

Purity: 97%

Color and Shape: Solid, Light beige powder

Molecular weight: 205.213

Ref: 10-F313742

4-(2-Oxopyrrolidin-1-yl)benzoic acid

CAS: 36151-44-7

4-(2-Oxopyrrolidin-1-yl)benzoic acid (4-OPBA) is a hydrogen bonding inhibitor that is used to study the interactions of cavity proteins. It has shown to interact with glutathione and prostaglandin D2, which are important for hematopoietic and inflammatory responses. 4-OPBA has been observed to bind with a water molecule in the cavity, which may explain its affinity for these molecular targets. The crystal structure of 4-OPBA shows that it forms an interaction with two water molecules and one other molecule in the cavity. This may be due to its ability to form hydrogen bonds with both water molecules as well as the molecule in the cavity.

Formula: C₁₁H₁₁NO₃

Purity: Min. 95%

Molecular weight: 205.21 g/mol

Ref: 3D-FO122945