114374-36-6

Basic information

• Product Name: 1H-Pyrrole,1-(1-oxo-2-propenyl)-(9CI)
• Synonyms: 1H-Pyrrole,1-(1-oxo-2-propenyl)-(9CI);2-Propen-1-one, 1-(1H-pyrrol-1-yl)-
• CAS NO: 114374-36-6
• Molecular Formula: C₇H₇NO
• Molecular Weight: 121.138
• Product Categories: AMINETERTIARY
• Mol File: 114374-36-6.mol

Chemical Properties

• Boiling Point: 56 °C
• Appearance: /
• Density: 0.97±0.1 g/cm3(Predicted)
• PKA: -6.35±0.70(Predicted)
• CAS DataBase Reference: 1H-Pyrrole,1-(1-oxo-2-propenyl)-(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Pyrrole,1-(1-oxo-2-propenyl)-(9CI)(114374-36-6)
• EPA Substance Registry System: 1H-Pyrrole,1-(1-oxo-2-propenyl)-(9CI)(114374-36-6)

Safety Data

• Hazardous Substances Data: 114374-36-6(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
1H-Pyrrole,1-(1-oxo-2-propenyl)-(9CI) is used as a starting material in organic synthesis for the preparation of various other compounds. Its unique structure and reactivity make it a valuable component in the creation of diverse chemical entities.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 1H-Pyrrole,1-(1-oxo-2-propenyl)-(9CI) is used as a building block for the synthesis of biologically active molecules. Its incorporation into drug candidates can potentially lead to the development of new therapeutic agents with novel mechanisms of action.
Used in Agrochemical Industry:
1H-Pyrrole,1-(1-oxo-2-propenyl)-(9CI) also serves as a precursor in the agrochemical industry for the development of new pesticide and fungicide products. Its chemical properties allow for the design of effective agents against pests and diseases in agriculture, contributing to enhanced crop protection and yield.

Upstream product

• 911001-88-2 N-(3-chloropropionyl)pyrrole 
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Relevant articles and documents

A Fluorescent Kinase Inhibitor that Exhibits Diagnostic Changes in Emission upon Binding

The development of a fluorescent LCK inhibitor that exhibits favourable solvatochromic properties upon binding the kinase is described. Fluorescent properties were realised through the inclusion of a prodan-derived fluorophore into the pharmacophore of an ATP-competitive kinase inhibitor. Fluorescence titration experiments demonstrate the solvatochromic properties of the inhibitor, in which dramatic increase in emission intensity and hypsochromic shift in emission maxima are clearly observed upon binding LCK. Microscopy experiments in cellular contexts together with flow cytometry show that the fluorescence intensity of the inhibitor correlates with the LCK concentration. Furthermore, multiphoton microscopy experiments demonstrate both the rapid cellular uptake of the inhibitor and that the two-photon cross section of the inhibitor is amenable for excitation at 700 nm.

Enantioselective organocatalytic Michael additions to acrylic acid derivatives: Generation of all-carbon quaternary stereocentres

Acrylic esters, thioesters and N-acryloyl pyrrole have been identified as effective electrophiles in the enantioselective Michael addition reaction with β-keto ester pro-nucleophiles catalysed by a cinchona alkaloid derived bifunctional organocatalyst; enantiomeric excesses of up to 98% and yields of up to 96% can be obtained for a range of Michael acceptors and pro-nucleophiles. The Royal Society of Chemistry.

Remarkably stable tetrahedral intermediates: Carbinols from nucleophilic additions to N-acylpyrroles

Sufficiently stable intermediates formed in the reaction of N-acylpyrroles (1) with hydride and Grignard reagents can undergo further synthetic transformations and chromatographic purification to enable the generation of pyrrolecarbinols 2 in 76-95% yields [Eq. (1)].