Ethyl 1,6-dimethyl-3-phenylazepane-4-carboxylate

Identification

Molecular formula

C₁₇H₂₁NO₂

CAS number

4956-37-2

IUPAC name

ethyl 1,6-dimethyl-5-phenyl-2H-azepine-5-carboxylate

State

At room temperature, ethyl 1,6-dimethyl-5-phenyl-2H-azepine-5-carboxylate is typically a liquid. It is stable under normal conditions and should be stored in a cool, dry place.

Melting point (Celsius)

17.10

Melting point (Kelvin)

290.25

Boiling point (Celsius)

325.00

Boiling point (Kelvin)

598.15

General information

Molecular weight

259.35g/mol

Molar mass

259.3490g/mol

Density

1.0370g/cm³

Appearence

The compound generally appears as a clear, colorless liquid. It is often used in organic synthesis and may have a faint characteristic odor.

Comment on solubility

Solubility of Ethyl 1,6-Dimethyl-5-phenyl-2H-azepine-5-carboxylate

Ethyl 1,6-dimethyl-5-phenyl-2H-azepine-5-carboxylate presents a unique profile concerning its solubility characteristics. Understanding its solubility is essential for applications in organic synthesis, pharmaceutical formulations, and chemical interactions. Here are some key considerations:

Polarity: The presence of both an ethyl ester and the aromatic phenyl group suggests that the compound displays a degree of polarity, which influences its solubility in various solvents.
Solvent Compatibility: Generally, compounds with similar functional groups exhibit better solubility in:

Polar solvents: such as water and methanol
Non-polar solvents: like hexane or chloroform

Hydrogen Bonding: The presence of functional groups capable of hydrogen bonding, such as the carboxylate, may enhance solubility in polar solvents.
Temperature Dependence: Solubility is often temperature reliant; thus, experimenting at various temperatures can yield important insights.

In summary, the solubility of ethyl 1,6-dimethyl-5-phenyl-2H-azepine-5-carboxylate can be anticipated to be moderate in polar solvents and variable in non-polar ones. Further empirical studies would likely assist in determining the precise solubility parameters for specific applications. This emphasizes the need for comprehensive analysis to click when characterizing compounds of such complexity.

Interesting facts

Interesting Facts about Ethyl 1,6-Dimethyl-5-phenyl-2H-azepine-5-carboxylate

Ethyl 1,6-dimethyl-5-phenyl-2H-azepine-5-carboxylate is a fascinating compound that belongs to the class of azepines, which are seven-membered heterocyclic compounds. Here are some compelling facts about this compound:

Structure and Functionality: The structure of this compound includes a unique combination of a carboxylate group and a phenyl group attached to the azepine ring, which may contribute to its diverse chemical properties.
Biological Relevance: Compounds containing azepine structures are often found in various bioactive molecules. They may exhibit interesting biological properties that could be of interest in medicinal chemistry.
Synthesis: Synthetic routes to prepare this compound often involve multi-step chemical reactions. Such syntheses can lead to a variety of functionalized azepines with potential applications in pharmaceuticals.
Research Applications: This compound can be used as a building block in organic synthesis, opening the door for the development of new materials or bioactive compounds. Researchers are continually exploring its applications in areas such as drug development and materials science.

As with many compounds in organic chemistry, understanding their structure, reactivity, and potential applications can lead to significant advancements in both theoretical and applied sciences. The study of compounds like ethyl 1,6-dimethyl-5-phenyl-2H-azepine-5-carboxylate not only expands our knowledge of chemical diversity but also inspires innovation in various fields.

Synonyms

AGN-PC-0JKCIC

1839-50-5

DTXSID90274556