7126-38-7

Basic information

• Product Name: 3-CYANOPYRROLE
• Synonyms: 3-CYANOPYRROLE;1H-Pyrrole-3-carbonitrile;pyrrole-3-carbonitrile;3-Cyano-1H-pyrrole
• CAS NO: 7126-38-7
• Molecular Formula: C₅H₄N₂
• Molecular Weight: 92.1
• Product Categories: Pyrrole&Pyrrolidine&Pyrroline;Building Blocks;Pyrrole
• Mol File: 7126-38-7.mol
• Article Data: 4

Chemical Properties

• Melting Point: 56-56.5℃
• Boiling Point: 252.3 °C at 760 mmHg
• Flash Point: 97.6 °C
• Appearance: /
• Density: 1.16 g/cm³
• Vapor Pressure: 0.0195mmHg at 25°C
• Refractive Index: 1.549
• Storage Temp.: 2-8°C
• PKA: 14.60±0.50(Predicted)
• CAS DataBase Reference: 3-CYANOPYRROLE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-CYANOPYRROLE(7126-38-7)
• EPA Substance Registry System: 3-CYANOPYRROLE(7126-38-7)

Safety Data

• Hazardous Substances Data: 7126-38-7(Hazardous Substances Data)

Usage

Description

3-CYANOPYRROLE, also known as Pyrrole-3-carbonitrile, is a pyrrole derivative characterized by the presence of a nitrile group (C≡N) at the 3rd position of the pyrrole ring. It is a versatile building block in organic synthesis and exhibits high reactivity in various chemical reactions, particularly Diels-Alder reactions.

Uses

Used in Chemical Synthesis:
3-CYANOPYRROLE is used as a building block for the synthesis of various organic compounds due to its high reactivity in Diels-Alder reactions. This application is valuable in the development of novel molecules with potential applications in pharmaceuticals, materials science, and other industries.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 3-CYANOPYRROLE is used as a key intermediate in the synthesis of various drug candidates. Its ability to participate in Diels-Alder reactions allows for the creation of complex molecular structures with potential therapeutic properties.
Used in Materials Science:
3-CYANOPYRROLE is also utilized in the development of new materials with specific properties, such as conductivity or photoluminescence. Its incorporation into polymers and other materials can lead to the creation of advanced materials for use in electronics, sensors, and other high-tech applications.

InChI:InChI=1/C5H4N2/c6-3-5-1-2-7-4-5/h1-2,4,7H

Upstream product

• 16289-54-6 2-(1H-tetrazol-5-yl)pyrazine 
• 16544-33-5 1,2,3-triazolo<1,5-b>pyridazine 
• 80242-24-6 4-cyanopyrrole-2-carboxylic acid 

Downstream Products

• 40740-39-4 5-formyl-1H-pyrrole-3-carbonitrile 
• 252336-89-3 3-Fluoro-4-(3-cyano-1-pyrrolyl)nitrobenzene 
• 110089-37-7 1-(3',5'-di-O-p-toluoyl-2'-deoxy-β-D-ribofuranosyl)-3-cyanopyrrole 
• 97744-98-4 brunfelsamidine 
• 97744-99-5 1H-Pyrrole-3-carboxylic acid acetyl-amide 

Relevant articles and documents

4-Pyridylnitrene and 2-pyrazinylcarbene

Both flash vacuum thermolysis (FVT) and matrix photolysis generate 2-diazomethylpyrazine (22) from 1,2,3-triazolo[1,5- a]pyrazine (24). FVT of 4-azidopyridine (18) as well as of 24 or 2-(5-tetrazolyl)pyrazine (23) affords the products expected from the nitrene, i.e., 4,4'-azopyridine and 2- and 3-cyanopyrroles. Matrix photolyses of both 18 and 24 result in ring expansion of 4-pyridylnitrene/2-pyrazinylcarbene to 1,5-diazacyclohepta-1,2,4,6-tetraene (20). Further photolysis causes ring opening to the ketenimine 27.

Chemistry of α-Amino Nitriles. Exploratory Experiments on Thermal Reactions of α-Amino Nitriles

The paper extends a previously published report on chemical properties of α-amino nitriles and of members of the C3H4N2 ensemble (Scheme 1) as observed in experiments carried out under non-aqueous conditions.The reactions investigated and the observations made are summarized in some detail in the English footnotes (*) referring to Schemes 1-17 and Fig. 1.