21898-65-7

Basic information

• Product Name: 2-TRICHLOROACETYL-1-METHYLPYRROLE
• Synonyms: 2-TRICHLOROACETYL-1-METHYLPYRROLE;1-METHYL-2-TRICHLOROACETYLPYRROLE;2,2,2-TRICHLORO-1-(1-METHYL-1H-PYRROL-2-YL)-1-ETHANONE;2,2,2-TRICHLORO-1-(1-METHYL-1H-PYRROL-2-YL)ETHAN-1-ONE;2,2,2-TRICHLORO-1-(1-METHYL-1H-PYRROL-2-YL)ETHANONE;1-(1-Methyl-1H-pyrrole-2-yl)-2,2,2-trichloroethanone;1-Methyl-2-(trichloroacetyl)-1H-pyrrole;N-Methyl-2-(trichloroacetyl)pyrrole
• CAS NO: 21898-65-7
• Molecular Formula: C₇H₆Cl₃NO
• Molecular Weight: 226.49
• Product Categories: Pyrroles & Indoles;Pyrroles & Indoles
• Mol File: 21898-65-7.mol
• Article Data: 36

Chemical Properties

• Melting Point: 64-66°C
• Boiling Point: 272.1 °C at 760 mmHg
• Flash Point: 118.4 °C
• Appearance: /
• Density: 1.44 g/cm³
• Vapor Pressure: 0.00619mmHg at 25°C
• Refractive Index: 1.565
• PKA: -9.39±0.70(Predicted)
• CAS DataBase Reference: 2-TRICHLOROACETYL-1-METHYLPYRROLE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-TRICHLOROACETYL-1-METHYLPYRROLE(21898-65-7)
• EPA Substance Registry System: 2-TRICHLOROACETYL-1-METHYLPYRROLE(21898-65-7)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 21898-65-7(Hazardous Substances Data)

Usage

General Description

2-Trichloroacetyl-1-methylpyrrole is a complex chemical compound. This organic compound belongs to the class of organic compounds known as pyrroles, which are polycyclic aromatic compounds containing a five-membered ring. The chemical structure of this compound includes one methylpyrrole unit which is bonded to an acetyl group that has been trichlorinated. Its exact chemical structure, properties, uses, or potential applications in industries or research, are not specifically outlined in currently available scientific literature, indicating that it may not be widely used, or it may be an intermediate compound in the synthesis of other more complex chemical compounds.

InChI:InChI=1/C7H6Cl3NO/c1-11-4-2-3-5(11)6(12)7(8,9)10/h2-4H,1H3

Upstream product

• 616-47-7 1-methyl-1H-imidazole 
• 76-02-8 trifluoroacetyl chloride 
• 96-54-8 N-Methylpyrrole 

Downstream Products

• 23466-27-5 ethyl 1-methyl-1H-pyrrole-2-carboxylate 
• 1146689-44-2 methyl-1H-pyrrole-2-carboxylic acid [3-(2-benzenesulfinyl-dimethylsulfamoyl-3H-imidazol-4-yl)-propyl]-amide 
• 1311314-54-1 1-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one 
• 1439376-33-6 6-benzyl-1-methyl-1H-pyrrolo[2,3-c]pyridin-6-ium bromide 
• 1456814-28-0 N-[3-(dimethylamino)propyl]-1-methyl-4-({[1-methyl-4-({[4-({[(5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl]oxy}methyl)phenyl]acetyl}amino)-1H-pyrrol-2-yl]carbonyl}amino)-1H-pyrrole-2-carboxamide 
• 1456814-26-8 N-[3-(dimethylamino)propyl]-1-methyl-4-[({1-methyl-4-[(3-{[(5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl]oxy}benzoyl)amino]-1H-pyrrol-2-yl}carbonyl)amino]-1H-pyrrole-2-carboxamide 
• 13138-78-8 1-methyl-4-nitro-pyrrol-2-carboxylic acid 
• 6973-60-0 1-Methyl-2-pyrrolecarboxylic acid 
• 40611-80-1 methyl 1,4-dimethylpyrrole-2-carboxylate 
• 84677-03-2 2-acetyl-1,4-dimethylpyrrol 
• 26214-68-6 1-methyl-pyrrole-2-carboxylic acid chloride 
• 3185-95-3 1-methyl-4-nitro-1H-pyrrole-2-carboxylic acid (2-cyanoethyl)amide 
• 120095-66-1 benzyl 1-methyl-4-nitropyrrole-2-carboxylate 
• 72083-62-6 methyl 4-amino-1-methyl-1H-pyrrole-2-carboxylate 

Relevant articles and documents

Novel synthetic organic compounds inspired from antifeedant marine alkaloids as potent bacterial biofilm inhibitors

In this paper, we have reported seventeen novel synthetic organic compounds derived from marine bromopyrrole alkaloids, exhibiting potential inhibition of biofilm produced by Gram-positive bacteria. Compound 5f with minimum biofilm inhibitory concentratio

AMIDE COUPLING PROCESS

The present invention relates to a synthetic process for amide coupling between a trihaloketone and an electron poor nucleophile, amenable to large scale synthesis, in particular, through a catalytic process.

Series of oligopolyamide containing N-methylpyrrole and N-methylimidazole and synthesis method thereof

The invention discloses a series of oligopolyamide DNA minor groove ligand compounds containing N-methylpyrrole and N-methylimidazole and a synthesis method thereof. The synthesis method provided by the invention adopts a five-membered heterocyclic compound and a derivative thereof as the raw materials, and carries out a series of reactions like acylation, nitration, hydrogenation, condensation, hydrolysis and the like to synthesize the target product. The synthesis method provided by the invention is also applicable to synthesis of polyamide. The synthetic process adopted by the method provided by the invention has the characteristics of simple operation and high yield, and is suitable for industrial scale production. The oligopolyamide DNA minor groove ligand compounds containing N-methylpyrrole and N-methylimidazole provided by the invention have structural formulas shown as formula I and formula II in the specification.

Investigation of the factors that dictate the preferred orientation of lexitropsins in the minor groove of DNA

Lexitropsins are small molecules that bind to the minor groove of DNA as antiparallel dimers in a specific orientation. These molecules have shown therapeutic potential in the treatment of several diseases; however, the development of these molecules to target particular genes requires revealing the factors that dictate their preferred orientation in the minor grooves, which to date have not been investigated. In this study, a distinct structure (thzC) was carefully designed as an analog of a well-characterized lexitropsin (thzA) to reveal the factors that dictate the preferred binding orientation. Comparative evaluations of the biophysical and molecular modeling results of both compounds showed that the position of the dimethylaminopropyl group and the orientation of the amide links of the ligand with respect to the 5′-3′-ends; dictate the preferred orientation of lexitropsins in the minor grooves. These findings could be useful in the design of novel lexitropsins to selectively target specific genes.