59252-53-8

Basic information

• Product Name: 17-(4-ethoxyphenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name)
• Synonyms: 17-(4-Ethoxyphenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione; SC
• CAS NO: 59252-53-8
• Molecular Formula: C₂₆H₂₁NO₃
• Molecular Weight: 395.4498
• Mol File: 59252-53-8.mol
• Article Data: 0

Chemical Properties

• Boiling Point: 651°C at 760 mmHg
• Flash Point: 347.5°C
• Density: 1.294g/cm³
• Vapor Pressure: 7.9E-17mmHg at 25°C
• Refractive Index: 1.658
• CAS DataBase Reference: 17-(4-ethoxyphenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name)(CAS DataBase Reference)
• NIST Chemistry Reference: 17-(4-ethoxyphenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name)(59252-53-8)
• EPA Substance Registry System: 17-(4-ethoxyphenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name)(59252-53-8)

Safety Data

• Hazardous Substances Data: 59252-53-8(Hazardous Substances Data)

Usage

Molecular structure

17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca core with a 17-(4-ethoxyphenyl) substituent.

Type of compound

Hexaene-16,18-dione derivative.

Potential applications

Pharmaceuticals, organic synthesis, and material science.

Recognition in scientific literature

Non-preferred name suggests it may not be commonly used or recognized.

Chemical properties

Unique due to its complex molecular structure.

Functional groups

Contains an aza (nitrogen-containing) ring, phenyl ring, and two carbonyl groups (dione).

Stereochemistry

The compound may have multiple stereoisomers due to the presence of multiple rings and chiral centers.

Solubility

Unknown, but may be influenced by the presence of the phenyl and carbonyl groups.

Stability

May be sensitive to certain conditions, such as heat, light, or moisture, due to the presence of the carbonyl groups.

Reactivity

The compound may undergo various chemical reactions, such as nucleophilic addition, electrophilic aromatic substitution, or reduction, depending on the specific functional groups and reaction conditions.

Synthesis

The synthesis of this compound may involve multiple steps, including ring-forming reactions, functional group transformations, and coupling reactions.

Purity

The purity of the compound may be important for its intended applications, and may require purification techniques such as chromatography or crystallization.

Structural isomers

The compound may have structural isomers with similar molecular formulas but different connectivity or arrangement of atoms.

Conformational isomers

The compound may have different conformational isomers due to the flexibility of the molecular structure, which can affect its properties and reactivity.

Optical isomers

The presence of chiral centers in the molecule may result in optical isomers, which are non-superimposable mirror images of each other.

Analytical techniques

Techniques such as nuclear magnetic resonance (NMR), infrared (IR) spectroscopy, and mass spectrometry may be used to analyze and characterize the compound.

Safety and handling

Proper safety precautions should be taken when handling this compound, including the use of personal protective equipment (PPE) and following good laboratory practices.