140640-93-3

Basic information

• Product Name: 1H-Pyrrolo[2,3-b]pyridine-5-carboxaldehyde, 4-(4-fluorophenyl)-6-(1-methylethyl)-
• Synonyms: 1H-Pyrrolo[2,3-b]pyridine-5-carboxaldehyde, 4-(4-fluorophenyl)-6-(1-methylethyl)-;4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde
• CAS NO: 140640-93-3
• Molecular Formula: C17H15FN2O
• Molecular Weight: 0
• Mol File: 140640-93-3.mol
• Article Data: 0

Chemical Properties

• Boiling Point: 481.3°C at 760 mmHg
• Flash Point: 244.9°C
• Appearance: /
• Density: 1.247g/cm³
• Vapor Pressure: 2.02E-09mmHg at 25°C
• Refractive Index: 1.645
• CAS DataBase Reference: 1H-Pyrrolo[2,3-b]pyridine-5-carboxaldehyde, 4-(4-fluorophenyl)-6-(1-methylethyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Pyrrolo[2,3-b]pyridine-5-carboxaldehyde, 4-(4-fluorophenyl)-6-(1-methylethyl)-(140640-93-3)
• EPA Substance Registry System: 1H-Pyrrolo[2,3-b]pyridine-5-carboxaldehyde, 4-(4-fluorophenyl)-6-(1-methylethyl)-(140640-93-3)

Safety Data

• Hazardous Substances Data: 140640-93-3(Hazardous Substances Data)

Usage

Molecular Structure

The compound has a fused pyridine and pyrrolo ring system, with a carboxaldehyde group at the 5 position of the pyrrolo ring and a 4-(4-fluorophenyl)-6-(1-methylethyl) substituent attached to the core structure.

Functional Groups

The main functional groups present in the compound are a carboxaldehyde group and a fluorophenyl group, which contribute to its reactivity and potential applications in various fields.

Aromaticity

The compound exhibits aromaticity due to the presence of the pyridine and pyrrolo rings, which are known for their stable and planar structures.

Fluorine Substitution

The presence of a fluorine atom on the phenyl ring can influence the compound's reactivity, polarity, and lipophilicity, making it a potentially important factor in its applications.

Methyl Substitution

The 1-methylethyl (isopropyl) group attached to the 6 position of the compound can affect its steric properties and solubility, which may be relevant for its applications in various fields.

Potential Applications

Due to its unique structure and functional groups, the compound may have potential applications in pharmaceuticals, agrochemicals, or materials science. It may also be useful as a building block for the synthesis of other organic compounds.

Stability

The compound's stability may be influenced by the presence of the carboxaldehyde group, which can be sensitive to oxidation and other reactions. However, the aromaticity of the pyridine and pyrrolo rings provides a stable core structure.

Synthesis

The synthesis of this compound may involve the formation of the pyrrolo-pyridine core structure, followed by the introduction of the carboxaldehyde group and the 4-(4-fluorophenyl)-6-(1-methylethyl) substituent through various chemical reactions.

InChI:InChI=1/C17H15FN2O/c1-10(2)16-14(9-21)15(11-3-5-12(18)6-4-11)13-7-8-19-17(13)20-16/h3-10H,1-2H3,(H,19,20)