21635-99-4

Basic information

• Product Name: Ethyl 5-cyano-1H-pyrrole-2-carboxylate
• Synonyms: 1H-Pyrrole-2-carboxylicacid,5-cyano-,ethylester(9CI);1H-Pyrrole-2-carboxylic acid, 5-cyano-, ethyl ester;5-Cyano-1H-pyrrole-2-carboxylic acid ethyl ester;Ethyl 5-cyano-1H-pyrrole-2-carboxylate
• CAS NO: 21635-99-4
• Molecular Formula: C₈H₈N₂O₂
• Molecular Weight: 164.16
• Product Categories: GLYCINESCAFFOLD
• Mol File: 21635-99-4.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 328.9 °C at 760 mmHg
• Flash Point: 152.7 °C
• Appearance: /
• Density: 1.24 g/cm³
• Vapor Pressure: 0.000183mmHg at 25°C
• Refractive Index: 1.532
• Storage Temp.: 2-8°C
• CAS DataBase Reference: Ethyl 5-cyano-1H-pyrrole-2-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: Ethyl 5-cyano-1H-pyrrole-2-carboxylate(21635-99-4)
• EPA Substance Registry System: Ethyl 5-cyano-1H-pyrrole-2-carboxylate(21635-99-4)

Safety Data

• Hazardous Substances Data: 21635-99-4(Hazardous Substances Data)

Usage

General Description

Ethyl 5-cyano-1H-pyrrole-2-carboxylate is a chemical compound with the molecular formula C8H7NO2. It is a cyanopyrrole derivative and is commonly used as a building block in the synthesis of various pharmaceuticals and agrochemicals. Ethyl 5-cyano-1H-pyrrole-2-carboxylate is also known for its potential biological activities, including antimicrobial, antifungal, and anticonvulsant properties. Ethyl 5-cyano-1H-pyrrole-2-carboxylate is commercially available and is often used as an intermediate in the production of other organic compounds. It is important to handle this chemical with caution due to its potential health hazards and environmental impact.

InChI:InChI=1/C8H8N2O2/c1-2-12-8(11)7-4-3-6(5-9)10-7/h3-4,10H,2H2,1H3

Upstream product

• 1189-71-5 isocyanate de chlorosulfonyle 
• 2199-43-1 ethyl 1H-pyrrole-2-carboxylate 

Downstream Products

• 854044-30-7 5-carboxy-1H-pyrrole-2-carbonitrile 

Relevant articles and documents

Dissecting the complex recognition interfaces of potent tetrazole- and pyrrole-based anion binders

Tetrazoles are potent anion binders. We report here a new family of tetrazole-pyrrole-amide hosts that arise when a tetrazole is incorporated as a new binding element alongside the well-known amidopyrrole anion-binding scaffold. In addition to reporting three new, modular synthetic routes that can be used to access these structures, we also report that the new hosts are highly potent binders of chloride. Along the way, we carried out studies of a pyrrole ester control compound that, surprisingly, bound anions almost as strongly as did the amide analogues. This led us to investigate further the relative importance of the amide NH in halide binding. We report that, despite the regular appearance of this close amide NH - -Cl contact in calculated and experimental X-ray structures, the amide NH in this family of anion hosts does not hydrogen bond strongly to chloride in solution.

Photolysis of 2,6-dicyanopyridine 1-oxides.

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