80965-09-9

Basic information

• Product Name: 1H-Pyrrolizine-1-carboxylic acid, 5-benzoyl-2,3-dihydro-, methyl ester
• CAS NO: 80965-09-9
• Molecular Formula: C16H15NO3
• Molecular Weight: 269.3
• Mol File: 80965-09-9.mol
• Article Data: 7

Chemical Properties

• CAS DataBase Reference: 1H-Pyrrolizine-1-carboxylic acid, 5-benzoyl-2,3-dihydro-, methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Pyrrolizine-1-carboxylic acid, 5-benzoyl-2,3-dihydro-, methyl ester(80965-09-9)
• EPA Substance Registry System: 1H-Pyrrolizine-1-carboxylic acid, 5-benzoyl-2,3-dihydro-, methyl ester(80965-09-9)

Safety Data

• Hazardous Substances Data: 80965-09-9(Hazardous Substances Data)

Usage

Molecular structure

1H-Pyrrolizine-1-carboxylic acid, 5-benzoyl-2,3-dihydro-, methyl ester has a complex and specific molecular structure.

Methyl ester derivative

It is a methyl ester derivative of 1H-pyrrolizine-1-carboxylic acid.

Benzoyl group

It contains a benzoyl group.

Dihydro-1H-pyrrolizine ring

It contains a dihydro-1H-pyrrolizine ring.

Chemical and pharmaceutical applications

It is used in various chemical and pharmaceutical applications.

Intermediate in synthesis

It is used as an intermediate in the synthesis of other organic compounds.

Potential biological activity

It may have potential biological activity.

Safety precautions

It is important to handle and use this compound with appropriate safety precautions due to its potential hazards and complex nature.

Upstream product

• 67-56-1 methanol 
• 74103-06-3 Ketorolac 
• 189696-36-4 4-(2-benzoylpyrrol-1-yl)-2-iodobutyric acid methyl ester 
• 611-74-5 N,N-dimethylbenzamide 
• 80965-04-4 [1-[2-(4,6-dioxo-2,2-dimethyl-1,3-dioxan-5-yl)ethyl]-2-(methanesulfonyl)-5-(benzoyl)]-pyrrole 
• 83727-08-6 5-[2-(2-Benzoyl-5-methylsulfanyl-pyrrol-1-yl)-ethyl]-2,2-dimethyl-[1,3]dioxane-4,6-dione 
• 80965-03-3 2-(methylsulfonyl)-5-benzoylpyrrole 
• 80965-00-0 2-(methylthio)-5-benzoylpyrrole 
• 80965-05-5 2-[2-(2-Benzoyl-5-methanesulfonyl-pyrrol-1-yl)-ethyl]-malonic acid dimethyl ester 

Downstream Products

• 66635-92-5 S-ketorolac 
• 1262801-33-1 C₁₆H₁₃N₃O₂S 
• 1262801-28-4 3-[2-{5-(5-benzoyl-2,3-dihydro-1H-pyrrolizin-1-yl)-1,3,4-oxadiazol-2-ylthio}acetyl]-2H-chromen-2-one 
• 66635-93-6 R-(+)-ketorolac 
• 223137-28-8 (-)-(S)-ketorolac methyl ester 

Relevant articles and documents

Ketorolac beats ketoprofen: Lower photodecarboxylation, photohemolysis and phototoxicity

Ketorolac shows reduced photohemolytic activity and low phototoxicity against human skin fibroblasts when compared to ketoprofen. The low decarboxylation quantum yield together with the efficient non-radiative deactivation of the triplet and singlet excit

Characterization of forced degradation products of ketorolac tromethamine using LC/ESI/Q/TOF/MS/MS and in silico toxicity prediction

Ketorolac, a nonsteroidal anti-inflammatory drug, was subjected to forced degradation studies as per International Conference on Harmonization guidelines. A simple, rapid, precise, and accurate high-performance liquid chromatography combined with electrospray ionization quadrupole time-of-flight tandem mass spectrometry (LC/ESI/Q/TOF/MS/MS) method has been developed for the identification and structural characterization of stressed degradation products of ketorolac. The drug was found to degrade in hydrolytic (acidic, basic, and neutral), photolytic (acidic, basic, and neutral solution), and thermal conditions, whereas the solid form of the drug was found to be stable under photolytic conditions. The method has shown adequate separation of ketorolac tromethamine and its degradation products on a Grace Smart C-18 (250-mm-×-4.6-mm i.d., 5-μm) column using 20-mM ammonium formate (pH-=-3.2): acetonitrile as a mobile phase in gradient elution mode at a flow rate of 1.0-ml/min. A total of nine degradation products were identified and characterized by LC/ESI/MS/MS. The most probable mechanisms for the formation of degradation products have been proposed on the basis of a comparison of the fragmentation of the [M-+-H]+ ions of ketorolac and its degradation products. In silico toxicity of the drug and degradation products was investigated by using topkat and derek softwares. The method was validated in terms of specificity, linearity, accuracy, precision, and robustness as per International Conference on Harmonization guidelines. Copyright

Methods for preparing 5-aroyl-1,2-dihydro-3H-pyrrolo-[1,2-A]pyrrole-1-carboxylic acids

This invention pertains to methods for preparing 5-aroyl-1,2-dihydro-3H-pyrrolo-[1,2-a]pyrrole-1-carboxylic acids represented by formula (I): STR1 In a first embodiment, the method comprises the sequential steps of cyclizing, via a free radical ring closu