58493-22-4

Basic information

• Product Name: 1-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-3-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one ethanedioate (1:1)
• CAS NO: 58493-22-4
• Molecular Formula: C₂₅H₃₇N₃O₉
• Molecular Weight: 523.576
• Mol File: 58493-22-4.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 653.2°C at 760 mmHg
• Flash Point: 348.9°C
• Vapor Pressure: 1.15E-17mmHg at 25°C
• CAS DataBase Reference: 1-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-3-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one ethanedioate (1:1)(CAS DataBase Reference)
• NIST Chemistry Reference: 1-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-3-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one ethanedioate (1:1)(58493-22-4)
• EPA Substance Registry System: 1-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-3-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one ethanedioate (1:1)(58493-22-4)

Safety Data

• Hazardous Substances Data: 58493-22-4(Hazardous Substances Data)

Usage

Functional groups

The compound contains a piperazine ring, a carbonyl group, two methoxy groups, and an ethanedioate group.

Molecular weight

The molecular weight of the compound is approximately 470.58 g/mol.

Stereochemistry

The compound may have stereoisomers due to the presence of chiral centers in the azepane ring and the ethanedioate group.

Solubility

The compound may be soluble in organic solvents such as methanol, ethanol, or dimethyl sulfoxide (DMSO), but its solubility in water is not specified.

Stability

The stability of the compound under various conditions (e.g., temperature, pH, light exposure) is not specified.

Pharmacological applications

The compound has potential pharmaceutical applications due to its structural characteristics and may exhibit various biological activities or therapeutic properties.

Biological activities

The compound may have potential as a candidate for further research and development in the field of medicinal chemistry and drug discovery.

Synthesis

The synthesis of the compound involves the formation of the piperazine ring, the attachment of the 4'-hydroxy-3,5-dimethoxyphenyl group, the formation of the azepane ring, and the addition of the ethanedioate group.

Analytical techniques

The compound can be characterized and analyzed using various analytical techniques such as nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry (MS), and elemental analysis.

Safety and handling

The safety and handling precautions for the compound are not specified, but it is generally recommended to follow standard laboratory safety procedures when handling new chemical compounds.

Relevant articles and documents

Synthesis and pharmacologic study of metabolites of cinpropazide maleate and related compounds

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