1207961-82-7

Basic information

• Product Name: LT-S9047
• Synonyms: 2-((Z)-2-((E)-2-(1,1-dimethyl-5,6-dihydro-1H-pyrrolo[3,2,1-ij]quinolin-2(4H)-ylidene)ethylidene)-3-oxo-2,3-dihydro-1H-inden-1-ylidene)malononitrile; HB194
• CAS NO: 1207961-82-7
• Molecular Formula: C27H21N3O
• Molecular Weight: 403.48
• Mol File: 1207961-82-7.mol
• Article Data: 0

Chemical Properties

• Melting Point: 291 °C(Solv: dichloromethane (75-09-2); hexane (110-54-3))
• Boiling Point: 519.8±50.0 °C(Predicted)
• Appearance: /
• Density: 1.31±0.1 g/cm3(Predicted)
• PKA: 0.77±0.40(Predicted)
• CAS DataBase Reference: LT-S9047(CAS DataBase Reference)
• NIST Chemistry Reference: LT-S9047(1207961-82-7)
• EPA Substance Registry System: LT-S9047(1207961-82-7)

Safety Data

• Hazardous Substances Data: 1207961-82-7(Hazardous Substances Data)

Usage

Molecular structure

The compound has a complex molecular structure with multiple fused rings and functional groups.

Malononitrile group

Different sources of media describe the Malononitrile group of 1207961-82-7 differently. You can refer to the following data:
1. A cyano group (C≡N) bonded to another cyano group through a double bond.
2. Known for its reactivity and ability to participate in various organic reactions, such as Michael additions and cycloadditions.

(Z)-2-((E)-2-(1,1-Dimethyl-5,6-dihydro-1H-pyrrolo[3,2,1-ij]quinolin-2(4H)-ylidene)ethylidene)

A specific arrangement of atoms and bonds within the molecule, indicating the presence of a pyrroloquinoline ring system with a vinylidene group attached to it.

3-oxo

The presence of a carbonyl group (C=O) bonded to a carbon atom with an oxidation state of +3.

2,3-dihydro-1H-inden-1-ylidene

A five-membered indene ring with two hydrogen atoms attached to it, and a double bond at the 1-position.

Functional groups

The compound contains a malononitrile group, multiple double bonds, and a carbonyl group.

Double bonds

Can undergo addition reactions, polymerization, and other reactions involving the breaking and forming of pi bonds.

Carbonyl group

Can participate in condensation, reduction, and other reactions involving the carbonyl functional group.

Potential applications

Due to its unique structure and functional groups, this compound may have potential applications in organic synthesis, pharmaceuticals, or materials science.

Organic synthesis

The compound's reactive functional groups can be used to synthesize other complex molecules or serve as intermediates in the synthesis of target compounds.

Pharmaceuticals

The compound's unique structure may lead to the development of new drugs with novel mechanisms of action or improved pharmacokinetic properties.

Materials science

The compound's electronic properties and reactivity may be harnessed for the development of new materials with specific properties, such as conductive polymers or sensors.

Further research and testing

To fully understand the properties and potential uses of this compound, additional research and testing would be necessary.

Characterization

Techniques such as NMR, IR, and mass spectrometry can be used to confirm the structure and composition of the compound.

Reactivity studies

Investigating the compound's reactivity with other chemicals and its ability to participate in various organic reactions.

Biological evaluation

Assessing the compound's potential as a pharmaceutical agent or its ability to interact with biological systems.

Material properties

Investigating the compound's electronic, mechanical, and other physical properties to determine its potential applications in materials science.