1146221-73-9

Basic information

• Product Name: 1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 1-(1,1-diMethylethyl)-4,6-bis(trifluoroMethyl)-
• Synonyms: 1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 1-(1,1-diMethylethyl)-4,6-bis(trifluoroMethyl)-
• CAS NO: 1146221-73-9
• Molecular Formula: C14H11F6N3
• Molecular Weight: 335.2476592
• Mol File: 1146221-73-9.mol
• Article Data: 2

Chemical Properties

• Appearance: /
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 1-(1,1-diMethylethyl)-4,6-bis(trifluoroMethyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 1-(1,1-diMethylethyl)-4,6-bis(trifluoroMethyl)-(1146221-73-9)
• EPA Substance Registry System: 1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 1-(1,1-diMethylethyl)-4,6-bis(trifluoroMethyl)-(1146221-73-9)

Safety Data

• Hazardous Substances Data: 1146221-73-9(Hazardous Substances Data)

Usage

Pyrrolopyridine derivative

This refers to the structure of the compound, which is derived from a pyrrolopyridine core.

Carbonitrile group

This is a functional group present in the compound, consisting of a carbon atom triple-bonded to a nitrogen atom and double-bonded to another carbon atom.

Trifluoromethyl substituents

These are two functional groups present in the compound, each consisting of a carbon atom bonded to three fluorine atoms.

1,1-dimethylethyl group

This is an alkyl group present in the compound, consisting of a carbon atom bonded to two methyl groups (each containing one carbon and two hydrogen atoms).

Potential applications in medicinal chemistry

The compound has potential for use in the development of new pharmaceutical compounds due to its biological activity.

Enhanced lipophilicity and metabolic stability

The presence of trifluoromethyl groups can increase the compound's ability to dissolve in lipids and its resistance to metabolic breakdown, which can be beneficial for drug development.

Unique structure

The compound's structure makes it an interesting target for chemical synthesis and study.

Upstream product

• 269726-49-0 2-amino-1-tert-butyl-4-cyanopyrrole 
• 1522-22-1 1,1,1,5,5,5-hexafluoroacetylacetone 

Relevant articles and documents

Facile synthesis of fluorinated pyrrolo[2,3-b]pyridines

With the purpose to synthesize novel ADAs (adenosine deaminase) and IMPDH (inosine 5′-monophosphate dehydrogenase) inhibitors the reaction of 5-amino-1-tert-butyl-1H-pyrrolo-3-carbonitrile with fluorinated 1,3-biselectrophiles was studied. An efficient an