1500-94-3

Basic information

• Product Name: Ethanone, 1-(2,5-dimethyl-1H-pyrrol-3-yl)- (9CI)
• Synonyms: Ethanone, 1-(2,5-dimethyl-1H-pyrrol-3-yl)- (9CI);2,5-Dimethyl-1H-pyrrol-3-yl(methyl) ketone
• CAS NO: 1500-94-3
• Molecular Formula: C8H11NO
• Molecular Weight: 137.17904
• EINECS: 219-197-1
• Product Categories: ACETYLGROUP
• Mol File: 1500-94-3.mol

Chemical Properties

• Boiling Point: 252.03°C (rough estimate)
• Flash Point: 112.1°C
• Appearance: /
• Density: 1.0630 (rough estimate)
• Vapor Pressure: 0.0136mmHg at 25°C
• Refractive Index: 1.5360 (estimate)
• CAS DataBase Reference: Ethanone, 1-(2,5-dimethyl-1H-pyrrol-3-yl)- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Ethanone, 1-(2,5-dimethyl-1H-pyrrol-3-yl)- (9CI)(1500-94-3)
• EPA Substance Registry System: Ethanone, 1-(2,5-dimethyl-1H-pyrrol-3-yl)- (9CI)(1500-94-3)

Safety Data

• Hazardous Substances Data: 1500-94-3(Hazardous Substances Data)

Usage

Safety Profile

A poison by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx,.

InChI:InChI=1/C8H11NO/c1-5-4-8(7(3)10)6(2)9-5/h4,9H,1-3H3

Upstream product

• 10599-70-9 2,5-dimethyl-3-acetylfuran 
• 42781-07-7 3-acetylhexane-2,5-dione 
• 38352-74-8 3-acetylhex-5-yn-2-one 
• 625-84-3 2,5-Dimethylpyrrole 
• 123-54-6 acetylacetone 
• 498553-39-2 3-[1-Amino-eth-(E)-ylidene]-hex-5-yn-2-one 
• 7664-41-7 ammonia 
• 21872-75-3 diethoxy(methyl)carbenium tetrafluoroborate 
• 74-96-4 ethyl bromide 

Relevant articles and documents

Reactions of nitrilium salts with indole and pyrrole and their derivatives in the synthesis of imines, ketones and secondary amines

Abstract Reactions of N-methyl- and N-ethyl-nitrilium salts with indole and pyrrole and their derivatives yield imines or imine salts in good yields. The related imines are obtained from the salts after careful basification and hydrolysis of the imine salts or the imines by heating with aqueous base give the related ketones in good yields. Alternatively, the imine salts can be reduced using sodium borohydride in methanol to give the related secondary amines.

Efficient synthesis of pyrroles and 4,5,6,7-tetrahydroindoles via palladium-catalyzed oxidation of hydroxy-enamines

Facile and one-pot synthetic route of poly-substituted pyrroles and 4-oxo-4,5,6,7-tetrahydroindoles is established, which consists of three steps: (1) palladium-catalyzed oxidation of hydroxy-enamines by using tetrakis(triphenylphosphine)palladium and mesityl bromide oxidation system, (2) intramolecular cyclization, and (3) dehydration.

Synthesis of substituted pyrroles in the glaser reaction

The substituted pyrroles and dipyrroles along with diacetylenes and cumulenes have been synthesized in high yields using a new synthetic method under mild reaction conditions using the Glaser coupling reaction. Although diacetylenes are formed from 2-prop

First Reactions of Dialkoxycarbenium Tetrafluoroborates with Pyrroles, 5H-Dibenzazepines, and Electron-Rich Arenes

Pyrrole (2a) and 2,5-dimethylpyrrole (2b) react with the dialkoxycarbenium tetrafluoroborates 1a-1c under kinetic control to yield the corresponding acylpyrrole derivatives. 5H-Dibenzazepine (9a) and the 10,11-dihydro derivative 9b react only with the most elecrophilic of the series of electrophiles tested, namely, diethoxycarbenium tetrafluoroborate (1a), to furnish the corresponding formyl derivatives.Similarly, in arene chemistry, the highly electron-rich N,N-dimethylaniline (13a) and 1,3,5-trimethoxybenzene (13b) are formylated by reaction with 1a.

THE FORMATION OF ACYLAMINO-DERIVATIVES OF INDOLES AND PYRROLES BY REACTIONS WITH NITRILIUM SALTS

N-Methylnitrilum fluoroborates are prepared rapidly by warming trimethyloxonium fluoroborate wiht a slight excess of the nitrile, subsquent addition of indoles and pyrroles at low temperatures (-50 deg C to -20 deg C) gives iminium salts (and hence ketones) in high yields.