40611-71-0

Basic information

• Product Name: 1-(3-Methyl-1H-pyrrol-2-yl)ethanone
• Synonyms: 1-(3-Methyl-1H-pyrrol-2-yl)ethanone
• CAS NO: 40611-71-0
• Molecular Formula: C7H9NO
• Molecular Weight: 123.15246
• Mol File: 40611-71-0.mol

Chemical Properties

• Melting Point: 98 °C
• Boiling Point: 231.0±20.0 °C(Predicted)
• Appearance: /
• Density: 1.065±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: 15.16±0.50(Predicted)
• CAS DataBase Reference: 1-(3-Methyl-1H-pyrrol-2-yl)ethanone(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(3-Methyl-1H-pyrrol-2-yl)ethanone(40611-71-0)
• EPA Substance Registry System: 1-(3-Methyl-1H-pyrrol-2-yl)ethanone(40611-71-0)

Safety Data

• Hazardous Substances Data: 40611-71-0(Hazardous Substances Data)

Usage

Classification

Ketone

Uses

Flavoring agent, fragrance ingredient in food and cosmetic industries

Odor

Characteristic pyrrole-like, fruity, earthy, and nutty aroma

Natural sources

Found in black tea and coffee

Applications

Synthesis of pharmaceuticals and organic compounds

Industrial potential

Significant potential for various industrial applications

Biological and pharmacological properties

May have properties that warrant further research

Relevant articles and documents

Unusually Facile Thermal Homodienyl-[1,5]-Hydrogen Shift Reactions in Photochemically Generated Vinyl Aziridines

A range of photochemically generated tri- and tetracyclic vinyl aziridines have been found to undergo a general and surprisingly low temperature ring opening through a [1,5]-hydrogen shift reaction. The rate of the process was found to be highly dependent on the structure and substitution around the azirdine ring and the alkene terminus, with some substrates being observed to undergo ring opening at temperatures as low as 25 °C. The rigid nature of these polycyclic systems precludes a conformational explanation of these rate differences, and an Eyring study confirmed a negligible entropic barrier to the reaction. However, the Eyring plots for two different aziridines systems showed a significant difference in their enthalpies of activation. It is therefore believed that the levels of aziridine ring strain, as well as electronic effects, are the dominant factors in this sequence.