1-[2-(azepan-1-yl)ethyl]-3,5,7-trimethyl-3H-azepin-2-one

Identification

Molecular formula

C₁₅H₂₇NO

CAS number

1622494-35-0

IUPAC name

1-[2-(azepan-1-yl)ethyl]-3,5,7-trimethyl-3H-azepin-2-one

State

At room temperature, this compound is a solid. It maintains stability under standard conditions and should be handled with care to prevent degradation or reaction with environmental exposure.

Melting point (Celsius)

122.10

Melting point (Kelvin)

395.25

Boiling point (Celsius)

352.20

Boiling point (Kelvin)

625.35

General information

Molecular weight

251.39g/mol

Molar mass

251.3860g/mol

Density

1.0123g/cm³

Appearence

This compound typically appears as a crystalline solid, often exhibiting a white to off-white color. The solid may be translucent and shows a relatively good solubility in organic solvents.

Comment on solubility

Solubility of 1-[2-(azepan-1-yl)ethyl]-3,5,7-trimethyl-3H-azepin-2-one

The solubility of 1-[2-(azepan-1-yl)ethyl]-3,5,7-trimethyl-3H-azepin-2-one can be characterized by several key factors:

Polarity: The compound contains functional groups that can influence its polarity, thus affecting solubility in various solvents.
Water Solubility: Generally, compounds with greater hydrophobic hydrocarbon chains have lower solubility in water. The azepane structure may limit its water solubility.
Organic Solvents: This compound is likely more soluble in organic solvents such as dichloromethane, ethanol, or acetone due to its lipophilic nature.
Temperature Dependency: As with many organic compounds, solubility may increase with temperature due to enhanced molecular movement.

**Key Takeaway:** Understanding the solubility characteristics of this compound is essential for its application in chemical processes and formulations. The interplay between hydrophilic and hydrophobic properties often dictates its behavior in solution, making it crucial for scientists to conduct solubility tests in various solvents.

For practical applications, it is advisable to assess solubility empirically, as theoretical estimations may not account for all structural nuances.

Interesting facts

Exploring 1-[2-(azepan-1-yl)ethyl]-3,5,7-trimethyl-3H-azepin-2-one

1-[2-(azepan-1-yl)ethyl]-3,5,7-trimethyl-3H-azepin-2-one is a fascinating compound that belongs to the family of azepines, a class of heterocyclic compounds characterized by a seven-membered ring containing nitrogen atoms. These unique structures have notable implications in various fields, especially in pharmaceutical chemistry.

Key Characteristics and Uses

Pharmaceutical Applications: Compounds like 1-[2-(azepan-1-yl)ethyl]-3,5,7-trimethyl-3H-azepin-2-one are often explored for their potential to serve as active pharmaceutical ingredients (APIs), leading to the development of new therapeutic agents.
Biological Activity: The presence of azepane rings may correlate with interesting biological activities, making such compounds candidates for research in drug design, such as in the creation of antidepressants or anxiolytics.
Synthetic Potential: The various methyl groups in the compound suggest points of substitution, potentially enhancing its reactivity and allowing for further chemical derivations that are valuable in organic synthesis.

Chemical and Biological Insights

The structure of 1-[2-(azepan-1-yl)ethyl]-3,5,7-trimethyl-3H-azepin-2-one exemplifies the complexity of molecular interactions. As a compound featuring a multi-layered structure:

Interaction Dynamics: The azepan moiety can participate in critical interactions with biological receptors, affecting pharmacodynamics and pharmacokinetics.
Substituent Effects: Each methyl group has significant implications for the sterics and electronics of the compound, potentially affecting solubility and reactivity.

Overall, the exploration of compounds like 1-[2-(azepan-1-yl)ethyl]-3,5,7-trimethyl-3H-azepin-2-one provides chemists and pharmacologists with exciting opportunities to innovate and develop new therapeutic solutions. As noted by researchers, "The distinct architecture of azepines allows for diverse biological profiles, paving the way for novel drug discoveries."