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O-2387

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Identification
Molecular formula
C17H25NO2S
CAS number
118964-05-1
IUPAC name
O-[2-(1-piperidyl)ethyl] 4-ethoxybenzenecarbothioate
State
State

At room temperature, the compound is in a solid state.

Melting point (Celsius)
112.30
Melting point (Kelvin)
385.50
Boiling point (Celsius)
345.50
Boiling point (Kelvin)
618.70
General information
Molecular weight
307.47g/mol
Molar mass
307.4700g/mol
Density
1.0837g/cm3
Appearence

The compound typically appears as a white to off-white crystalline solid.

Comment on solubility

Solubility of O-[2-(1-piperidyl)ethyl] 4-ethoxybenzenecarbothioate

Understanding the solubility of O-[2-(1-piperidyl)ethyl] 4-ethoxybenzenecarbothioate is essential for its applications in various chemical processes and formulations. The solubility of this compound is influenced by several key factors:

  • Polarity: The presence of the 4-ethoxy group may enhance solubility in polar solvents to some extent, due to the electron-donating characteristics.
  • Functional Groups: The thioate ester functional group can also partake in intermolecular interactions which may affect solubility.
  • Alkyl Chains: The presence of the piperidyl substituent introduces hydrophobic characteristics that can hinder solubility in highly polar solvents.
  • Temperature: Like many organic compounds, solubility can vary significantly with temperature; increased temperatures generally yield higher solubility.

In summary, while the compound may exhibit better solubility in polar organic solvents compared to water, challenges may arise due to its structural components. Therefore, conducting experimental solubility tests in various media is advised to gain specificity for practical applications. As with all compounds, it's essential to explore solubility in the context of its intended use.

Interesting facts

Interesting Facts about O-[2-(1-piperidyl)ethyl] 4-ethoxybenzenecarbothioate

O-[2-(1-piperidyl)ethyl] 4-ethoxybenzenecarbothioate is a fascinating compound that intrigues chemists and pharmacologists alike. Here are some notable points about this compound:

  • Pharmacological Relevance: Due to its structural characteristics, this compound is often explored in medicinal chemistry for its potential therapeutic effects. The presence of the piperidine ring is particularly notable, as piperidine derivatives are known for various biological activities.
  • Versatile Functional Groups: This compound features a carbothioate group, which adds a unique reactivity profile. Carbothioates are often involved in important chemical reactions and can serve as intermediates in organic synthesis.
  • Synthetic Utility: The ethoxy substituent on the aromatic ring enhances the compound’s solubility and reactivity, making it an interesting precursor in synthesizing more complex molecules in organic chemistry.
  • Potential Applications: Researchers are interested in compounds like O-[2-(1-piperidyl)ethyl] 4-ethoxybenzenecarbothioate for their implications in drug development, specifically in the design of agents that could target specific receptors or pathways in the body.
  • Structure-Activity Relationship (SAR): This compound presents an excellent opportunity to study how variations in its structure affect biological activity, a fundamental concept in medicinal chemistry.

In summary, O-[2-(1-piperidyl)ethyl] 4-ethoxybenzenecarbothioate stands at the intersection of organic synthesis and pharmacology. Its unique structural features and potential biological implications make it a compound of significant interest for ongoing research and development in the field of chemistry.