23694-02-2

Basic information

• Product Name: Ethanone, 2-chloro-1-(1-methyl-1H-pyrrol-2-yl)- (9CI)
• Synonyms: Ethanone, 2-chloro-1-(1-methyl-1H-pyrrol-2-yl)- (9CI);2-Chloro-1-(1-Methyl-2-pyrrolyl)ethanone;2-CHLORO-1-(1-METHYL-1H-PYRROL;2-chloro-1-(1-methylpyrrol-2-yl)ethanone
• CAS NO: 23694-02-2
• Molecular Formula: C₇H₈ClNO
• Molecular Weight: 157.59752
• Product Categories: ACETYLHALIDE
• Mol File: 23694-02-2.mol
• Article Data: 13

Chemical Properties

• Melting Point: 47 °C
• Boiling Point: 253.1 °C at 760 mmHg
• Flash Point: 106.9 °C
• Appearance: /
• Density: 1.18 g/cm³
• Vapor Pressure: 0.0186mmHg at 25°C
• Refractive Index: 1.535
• PKA: -7.90±0.70(Predicted)
• CAS DataBase Reference: Ethanone, 2-chloro-1-(1-methyl-1H-pyrrol-2-yl)- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Ethanone, 2-chloro-1-(1-methyl-1H-pyrrol-2-yl)- (9CI)(23694-02-2)
• EPA Substance Registry System: Ethanone, 2-chloro-1-(1-methyl-1H-pyrrol-2-yl)- (9CI)(23694-02-2)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 23694-02-2(Hazardous Substances Data)

Usage

General Description

Ethanone, 2-chloro-1-(1-methyl-1H-pyrrol-2-yl)- (9CI) is a chemical compound with the molecular formula C8H8ClNO. It is also known as 2-chloro-1-(1-methyl-1H-pyrrol-2-yl)ethanone and belongs to the class of organic compounds known as aryl chlorides. Ethanone, 2-chloro-1-(1-methyl-1H-pyrrol-2-yl)- (9CI) is a yellow to light-brown colored liquid with a pungent odor. It is primarily used as an intermediate in the synthesis of pharmaceuticals and other organic compounds. Additionally, it has potential applications in research and development as a building block for the synthesis of various chemical compounds. However, due to its toxic and hazardous properties, it should be handled and used with caution in appropriate laboratory settings.

InChI:InChI=1/C7H8ClNO/c1-9-4-2-3-6(9)7(10)5-8/h2-4H,5H2,1H3

Upstream product

• 96-54-8 N-Methylpyrrole 
• 2620-05-5 N-methyl-2-chloroacetanilide 
• 2675-89-0 2-chloro-N,N-dimethylacetamide 
• 932-16-1 N-methyl-2-acetylpyrrole 
• 79-04-9 chloroacetyl chloride 
• 31785-72-5 1-methyl-2-pyrrolyllithium 
• 619-33-0 dichloroacetaldehyde diethyl acetal 

Downstream Products

• 76007-21-1 1-methyl-2-N-methylanilinoacetylpyrrole 
• 157847-53-5 2-chloro-1-[4-(4-chlorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-ethanone 
• 21391-29-7 1-(α-N-Methyl-pyrryl)-2-piperidino-ethanol 
• 76007-27-7 3-(1-methylpyrrol-2-yl)-1-phenylazetidin-3-ol 

Relevant articles and documents

The α-chlorination of aryl methyl ketones under aerobic oxidative conditions

The novel reaction system air/ammonium nitrate/iodine/hydrochloric acid [air/NH4NO3(cat.)/I2(cat.)/HCl] is introduced as a simple, safe, cheap, efficient and regioselective mediator for the α-chlorination of aryl, heteroaryl and alkyl methyl ketones under aerobic oxidative conditions. The inventive use of a catalytic amount of iodine enabled the moderate to quantitative, regioselective chlorination of a comprehensive scope of different methyl ketone derivatives including those bearing oxidizable heteroatom (S, N) substituents, some of which possess declared potential biological and pharmaceutical activity. Air oxygen under a slight overpressure plays the role of the terminal oxidant catalytically activated by redox cycles of nitrogen oxides released from the catalytic amount of ammonium nitrate (NH4NO3) under acidic conditions of hydrochloric acid (HCl) and co-catalyzed by elemental iodine (I2), which was found to be essential for the high efficiency of the reaction system.

Enantioselective synthesis of heteroaromatic epoxyketones under phase-transfer catalysis using D-glucose- and D-mannose-based crown ethers

Heteroaromatic epoxyketones have been synthesized in an asymmetric Darzens condensation of 2-chloroacetylfuran or 2- and 3-chloroacetylthiophene with aromatic aldehydes and in the enantioselective epoxidation of α,β-enones with an N-methylpyrrole unit, in

Novel building blocks: 1-Aryl-2-chloro-1-ethoxyethenes - Preparations and transformations

We described here a simple method for the preparation of 1-aryl-2-chloro-1-ethoxyethenes 2a-u, which are prodrugs for Alzheimer's disease, by the reaction of dichloroacetaldehyde diethyl acetal with various aryl and alkenyllithium compounds in high yields. Wiley-VCH Verlag GmbH & Co. KGaA, 2007.