41790-73-2

Basic information

• Product Name: 2-(2-OXOPYRROLIDIN-1-YL)BENZOIC ACID
• Synonyms: 2-(2-ketopyrrolidin-1-yl)benzoic acid;2-(2-oxo-1-pyrrolidinyl)benzoic acid
• CAS NO: 41790-73-2
• Molecular Formula: C₁₁H₁₁NO₃
• Molecular Weight: 205.22
• Mol File: 41790-73-2.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 476 °C at 760 mmHg
• Flash Point: 241.7 °C
• Appearance: /
• Density: 1.341 g/cm³
• Vapor Pressure: 7.19E-10mmHg at 25°C
• Refractive Index: 1.616
• CAS DataBase Reference: 2-(2-OXOPYRROLIDIN-1-YL)BENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(2-OXOPYRROLIDIN-1-YL)BENZOIC ACID(41790-73-2)
• EPA Substance Registry System: 2-(2-OXOPYRROLIDIN-1-YL)BENZOIC ACID(41790-73-2)

Safety Data

• Hazardous Substances Data: 41790-73-2(Hazardous Substances Data)

Usage

General Description

2-(2-OXOPYRROLIDIN-1-YL)BENZOIC ACID is a chemical compound with the molecular formula C13H11NO4. It is a derivative of benzoic acid and contains a pyrrolidine ring with a ketone group attached. 2-(2-OXOPYRROLIDIN-1-YL)BENZOIC ACID is used in organic synthesis and pharmaceutical research due to its potential biological activity. It may have applications in the development of new drugs or as a building block for the synthesis of other biologically active compounds. This chemical is important for the understanding of the structure-activity relationship in drug discovery and development.

InChI:InChI=1/C11H11NO3/c13-10-6-3-7-12(10)9-5-2-1-4-8(9)11(14)15/h1-2,4-5H,3,6-7H2,(H,14,15)

Upstream product

• 24059-71-0 1-(2-methylphenyl)pyrrolidin-2-one 
• 41790-74-3 2-(4-Chloro-butyrylamino)-benzoic acid 
• 22462-26-6 methyl 2-(2-oxo-pyrrolidin-1-yl)benzoate 
• 22462-27-7 N-<4-Chlor-butyryl>-anthranilsaeuremethylester 
• 134-20-3 2-carbomethoxyaniline 
• 95-53-4 o-toluidine 
• 4641-57-0 1-phenylpyrrolidin-2-one 
• 201230-82-2 carbon monoxide 

Downstream Products

• 1107664-34-5 methyl 2-[2-(2-oxo-pyrrolidin-1-yl)-benzoylamino]-thiophene-3-carboxylate 
• 865190-71-2 C₁₉H₁₈N₂O₄ 
• 1107664-37-8 methyl 5-bromo-2-[2-(2-oxo-pyrrolidin-1-yl)-benzoylamino]-benzoate 

Relevant articles and documents

Synthetic applications of Pd(II)-catalyzed C-H carboxylation and mechanistic insights: Expedient routes to anthranilic acids, oxazolinones, and quinazolinones

A Pd(II)-catalyzed reaction protocol for the carboxylation of ortho-C-H bonds in anilides to form N-acyl anthranilic acids has been developed. This reaction procedure provides a novel and efficient strategy for the rapid assembly of biologically and pharmaceutically significant molecules, such as benzoxazinones and quinazolinones, from simple anilides without installing and removing an external directing group. The reaction conditions are also amenable to the carboxylation of N-phenyl pyrrolidinones. A monomeric palladacycle containing p-toluenesulfonate as an anionic ligand has been characterized by X-ray crystallography, and the crucial role of p-toluenesulfonic acid in the activation of C-H bonds in the presence of carbon monoxide is discussed. Identification of two key intermediates, a mixed anhydride and benzoxazinone formed by reductive elimination from organometallic Ar(CO)Pd(II)-OTs species, provides mechanistic evidence for a dual-reaction pathway.

Synthesis of a new family of N-aryl lactams active on chemesthesis and taste

A new class of synthetic compounds with chemesthetic activity has been identified. They have been designed ex-novo by structural similarity with known cooling compounds such as menthol, icilin and cyclic ketoenamines. 19 new derivatives have been obtained