81698-03-5

Basic information

• Product Name: 1H-Pyrrole-2-carbonitrile,5-formyl-1-methyl-(9CI)
• Synonyms: 1H-Pyrrole-2-carbonitrile,5-formyl-1-methyl-(9CI)
• CAS NO: 81698-03-5
• Molecular Formula: C₇H₆N₂O
• Molecular Weight: 134.137
• Product Categories: AMINETERTIARY
• Mol File: 81698-03-5.mol
• Article Data: 3

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1H-Pyrrole-2-carbonitrile,5-formyl-1-methyl-(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Pyrrole-2-carbonitrile,5-formyl-1-methyl-(9CI)(81698-03-5)
• EPA Substance Registry System: 1H-Pyrrole-2-carbonitrile,5-formyl-1-methyl-(9CI)(81698-03-5)

Safety Data

• Hazardous Substances Data: 81698-03-5(Hazardous Substances Data)

Usage

Chemical structure

A pyrrole ring with a carbonitrile functional group at the 2-position and a formyl and methyl group at the 5-position

Usage

In various organic synthesis reactions and as a building block for the production of pharmaceuticals, agrochemicals, and other fine chemicals

Potential applications

In the development of new drugs and as a starting material for the synthesis of more complex organic molecules

Additional uses

In research and development in the fields of chemistry and biochemistry.

Upstream product

• 81697-87-2 2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-methyl-1H-pyrrole 
• 96-54-8 N-Methylpyrrole 
• 34884-10-1 1-methyl-1H-pyrrole-2-carbonitrile 
• 68-12-2 N,N-dimethyl-formamide 
• 81698-02-4 1-methyl-5-(5,5-dimethyl-1,3-dioxan-2-yl)-pyrrole-2-carbonitrile 
• 1192-58-1 N-methylpyrrole aldehyde 

Downstream Products

• 203792-91-0 [tert-butoxycarbonyl-(2-{2-[(5-carbamimidoyl-1-methyl-1H-pyrrol-2-ylmethyl)-carbamoyl]-2,5-dihydro-pyrrol-1-yl}-1-cyclohexylmethyl-2-oxo-ethyl)-amino]-acetic acid tert-butyl ester 
• 203792-37-4 5-(aminomethyl)-1-methylpyrrole-2-carbonitrile 
• 203792-35-2 5-hydroxymethyl-1-methylpyrrole-2-carbonitrile 

Relevant articles and documents

Thrombin inhibitors

Novel five-membered heterocyclic amidines, their preparation and use as competitive inhibitors of trypsin-like serine proteases, especially thrombin and kininogenases such as kallikrein. Pharmaceutical compositions which contain the compounds as active ingredients, and use of the compounds as thrombin inhibitors, anticoagulants and antiinflammatory agents.

PYRROLE CHEMISTRY. XXIV. THE VILSMEIER FORMYLATION AND CYANATION OF PYRROLE ACETALS. A SYNTHESIS OF PYRROLE-2,3,5-TRICARBOXALDEHYDE

The preparation of the acetals of a number of pyrrole mono- and dicarboxaldehydes is described.It is shown that, provided the reactivity of the unsubstituted ring positions on the pyrrole nucleus is not too low, a carboxaldehyde or a carbonitrile group may be substituted on the pyrrole ring using the Vilsmeier reaction or chlorosulfonyl isocyanate respectively. Vilsmeier formylation of the diacetal, 2,4-di(5,5-dimethyl-1,3-dioxan-2-yl)-pyrrole, followed by hydrolysis gave pyrrole-2,3,5-tricarboxaldehyde.