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3-(dibutylamino)propyl 2-ethoxy-5-fluorobenzoate

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Identification
Molecular formula
C20H30FNO3
CAS number
1445756-34-5
IUPAC name
3-(dibutylamino)propyl 2-ethoxy-5-fluoro-benzoate
State
State

At room temperature, 3-(dibutylamino)propyl 2-ethoxy-5-fluorobenzoate exists in a liquid state. This fluid is stable under normal conditions but should be handled with standard precautions for chemical substances.

Melting point (Celsius)
-12.00
Melting point (Kelvin)
261.15
Boiling point (Celsius)
254.50
Boiling point (Kelvin)
527.65
General information
Molecular weight
339.46g/mol
Molar mass
339.4640g/mol
Density
1.0647g/cm3
Appearence

3-(Dibutylamino)propyl 2-ethoxy-5-fluorobenzoate typically appears as a colorless to pale yellow liquid. It is not very viscous and will pour easily from containers. However, specific appearance can vary slightly depending on the purity and exact conditions under which it is observed.

Comment on solubility

Solubility of 3-(dibutylamino)propyl 2-ethoxy-5-fluoro-benzoate

The solubility of 3-(dibutylamino)propyl 2-ethoxy-5-fluoro-benzoate in various solvents is influenced by both its molecular structure and the functional groups present. This compound contains both hydrophobic groups from the dibutylamino moiety and a polar ethoxy group, leading to interesting solubility characteristics.

Key factors influencing solubility:

  • Polarity: The ethoxy group is polar, which may enhance solubility in polar solvents like alcohols and some ketones.
  • Hydrophobic interactions: The presence of dibutyl groups contributes to hydrophobic interactions that favor solubility in organic solvents such as hexane, toluene, and dichloromethane.
  • Hydrogen bonding: The potential for hydrogen bonding with water molecules can affect solubility; however, the bulky dibutyl groups may hinder this interaction.

In general, it can be stated that:

  • This compound is likely to be more soluble in organic solvents due to its hydrophobic character.
  • It might exhibit limited solubility in water, which can be expected for many similar compounds with large alkyl substituents.

As with many chemical compounds, it is crucial to conduct experimental solubility tests to determine specific values and behavior in different solvents. The diverse behaviors stemming from molecular interactions make the solubility profile of 3-(dibutylamino)propyl 2-ethoxy-5-fluoro-benzoate a fascinating subject for further study.

Interesting facts

Interesting Facts about 3-(dibutylamino)propyl 2-ethoxy-5-fluoro-benzoate

The compound 3-(dibutylamino)propyl 2-ethoxy-5-fluoro-benzoate is a fascinating example of a benzoate derivative, showcasing both medicinal and chemical potential. Here are some noteworthy points about this compound:

  • Pharmaceutical Relevance: Compounds like 3-(dibutylamino)propyl 2-ethoxy-5-fluoro-benzoate are often studied for their potential therapeutic applications. The presence of the dibutylamino group enhances its bioactivity and permeability, making it a candidate for drug formulation.
  • Fluorine Substitution: The incorporation of fluorine in the benzoate structure can significantly influence the compound's chemical properties. Fluorine is known to enhance metabolic stability and lipophilicity, which can be critical in drug design.
  • Structure-Activity Relationship (SAR): The structure of this compound allows chemists to investigate the relationship between its molecular structure and biological activity, thereby aiding in the design of more effective pharmaceutical agents.
  • Development of New Materials: Besides its biological implications, compounds like this can also play a role in materials science. The unique properties conferred by the ethoxy and dibutylamino groups may lend themselves to advancements in functional materials or polymers.
  • Research and Development: Ongoing research into this class of compounds could lead to the discovery of novel agents in treating various diseases, demonstrating the endless possibilities in the realm of synthetic chemistry.

In summary, 3-(dibutylamino)propyl 2-ethoxy-5-fluoro-benzoate is not just a compound with a complex structure, but rather a pivotal substance that intersects the fields of medicinal chemistry, materials science, and drug discovery. As we continue to unravel its properties, we may unlock new avenues for therapeutic innovations.