N-Phenylacetyl, a Gewald aminophenone

Identification

Molecular formula

C₁₈H₂₃NO₃

CAS number

1084-96-0

IUPAC name

2-(1-piperidyl)ethyl 3-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]propanoate

State

At room temperature, this compound is typically in a solid state with crystalline properties.

Melting point (Celsius)

134.50

Melting point (Kelvin)

407.65

Boiling point (Celsius)

345.60

Boiling point (Kelvin)

618.75

General information

Molecular weight

261.35g/mol

Molar mass

261.3530g/mol

Density

1.1650g/cm³

Appearence

This compound typically appears as a solid substance. The color can vary depending on the purity and the specific synthesis route used, but it generally appears as a white to off-white crystalline powder.

Comment on solubility

Solubility of 2-(1-piperidyl)ethyl 3-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]propanoate

The solubility of the compound 2-(1-piperidyl)ethyl 3-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]propanoate is influenced by its complex molecular structure. Here are key aspects to consider:

Polarity: The presence of polar functional groups can enhance solubility in polar solvents such as water.
Hydrogen Bonding: Molecules capable of hydrogen bonding are often more soluble. The amino group in this compound suggests potential for such interactions.
Hydrophobic Regions: The cyclohepta structure introduces hydrophobic characteristics that may limit solubility in polar solvents.
Solvent Interaction: Its solubility may improve in organic solvents like methanol or ethanol, due to better compatibility with the hydrophobic parts of the molecule.
pH Dependence: The solubility can be pH-dependent, particularly for acidic or basic functional groups, affecting its ionization state.

In summary, while 2-(1-piperidyl)ethyl 3-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]propanoate has potential solubilizing traits due to its amino functionalities, the overall solubility is likely moderated by its hydrophobic properties. Practically, the solubility should be assessed in various solvents to fully understand its behavior in different environments.

Interesting facts

Interesting Facts about 2-(1-piperidyl)ethyl 3-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]propanoate

This compound, often referred to in scientific literature for its unique structure and potential applications, embodies the convergence of organic chemistry and medicinal innovation. Here are some fascinating insights about this intriguing molecule:

Dual Functional Groups: The structure showcases a combination of a piperidine derivative and a cycloheptatriene moiety, which can impart unique chemical properties and functionalities. This duality opens doors for various chemical interactions.
Potential Bioactivity: The presence of the piperidyl group is often associated with enhanced biological activity. Many piperidine derivatives have been studied for their therapeutic roles, including their utility as analgesics and anti-cancer agents.
Versatility in Drug Design: Due to its structural complexity, this compound is of significant interest in drug design. Its scaffold may serve as a lead compound for synthesizing new pharmaceuticals targeting specific biological pathways.
Studies and Implications: Preliminary studies suggest that analogs related to this compound could show potent activity against certain illnesses. Research is ongoing to explore these potential uses further.
Structure-Activity Relationship (SAR): The intricate arrangement of atoms within this compound allows chemists to analyze how variations in the structure can affect biological activity, leading to more targeted and effective treatments.

In conclusion, 2-(1-piperidyl)ethyl 3-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]propanoate serves as a great example of the molecular innovation that characterizes contemporary chemical research. As scientists continue to unravel its potential, this compound will undoubtedly contribute to the rich tapestry of medicinal chemistry.