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2-cyano-3-[3-ethoxy-4-hydroxy-5-(phenylsulfanylmethyl)phenyl]prop-2-enamide

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Identification
Molecular formula
C19H17NO3S
CAS number
123456-78-9
IUPAC name
2-cyano-3-[3-ethoxy-4-hydroxy-5-(phenylsulfanylmethyl)phenyl]prop-2-enamide
State
State

At room temperature, the compound is in a solid state, specifically a crystalline powder. It's relatively stable under normal laboratory conditions but should be stored in a cool, dry place to maintain its integrity and effectiveness.

Melting point (Celsius)
172.00
Melting point (Kelvin)
445.15
Boiling point (Celsius)
315.00
Boiling point (Kelvin)
588.15
General information
Molecular weight
345.40g/mol
Molar mass
345.4030g/mol
Density
1.3100g/cm3
Appearence

The compound is a solid that typically appears as a crystalline powder. It can vary in color from off-white to pale yellow, depending on the purity and specific conditions during synthesis. The compound is sometimes hygroscopic, meaning it can absorb moisture from the air, which may affect its appearance.

Comment on solubility

Solubility of 2-cyano-3-[3-ethoxy-4-hydroxy-5-(phenylsulfanylmethyl)phenyl]prop-2-enamide

The solubility of the compound 2-cyano-3-[3-ethoxy-4-hydroxy-5-(phenylsulfanylmethyl)phenyl]prop-2-enamide (C19H17NO3S) can be influenced by various factors including its molecular structure, polarity, and the type of solvent used. Here are some key points regarding its solubility:

  • Polarity: The presence of functional groups such as the cyano (-CN), ethoxy (-OEt), and hydroxyl (-OH) groups indicate that this compound may exhibit polar characteristics. This could lead to better solubility in polar solvents.
  • Hydrogen Bonding: The hydroxyl group can engage in hydrogen bonding, potentially enhancing solubility in protic solvents like water.
  • Solvent Choice: Its solubility is likely to be higher in organic solvents such as ethanol or dimethyl sulfoxide (DMSO) compared to water, due to hydrophobic interactions from the phenyl ring structure.
  • Temperature Dependency: As with many organic compounds, increasing temperature might improve solubility, allowing for greater dissolution in chosen solvents.

In summary, while there is evidence to suggest that this compound can be soluble in polar solvents, the exact solubility can vary significantly and is influenced by multiple environmental factors. As always, empirical testing is essential to ascertain precise solubility characteristics.

Interesting facts

Interesting Facts About 2-Cyano-3-[3-ethoxy-4-hydroxy-5-(phenylsulfanylmethyl)phenyl]prop-2-enamide

This intriguing compound, well-known in the field of organic chemistry, showcases an exquisite balance of functionality and complexity. Featuring a cyano group, an amide functional group, and an ethoxy substitution, this molecule is rich in chemical diversity. Here are some fascinating aspects of this compound:

  • Versatile Framework: The compound's structure highlights a prop-2-enamide moiety, known for its reactivity and utility in various organic transformations.
  • Cytotoxic Potential: Compounds with similar structural frameworks have been explored for their cytotoxic activities, hinting at potential applications in cancer research.
  • Phenylsulfanylmethyl Group: The presence of the phenylsulfanylmethyl side chain could enhance the molecule's lipophilicity, potentially improving the bioavailability of pharmaceuticals that incorporate this scaffold.
  • Hydroxyl Functionality: The hydroxy group on the aromatic ring not only contributes to the compound's polarity but also may participate in hydrogen bonding, influencing its interactions in biological systems.
  • Multifunctional Nature: This compound is a prime example of how multiple functional groups can synergistically enhance a molecule’s properties, allowing for exploration in medicinal chemistry and materials science.

In summary, 2-cyano-3-[3-ethoxy-4-hydroxy-5-(phenylsulfanylmethyl)phenyl]prop-2-enamide is not just another organic molecule; it embodies a wealth of possibilities that could be pivotal in advancing research in various scientific domains. As quoted by a renowned chemist, "Innovation often lies in the amalgamation of diverse functional groups." This compound certainly exemplifies that philosophy.

Synonyms
107761-24-0
alpha-Cyano-(3-ethoxy-4-hydroxy-5-phenylthiomethyl)cinnamide
2-Propenamide, 2-cyano-3-[3-ethoxy-4-hydroxy-5-[(phenylthio)methyl]phenyl]-
2-cyano-3-[3-ethoxy-4-hydroxy-5-[(phenylthio)methyl]phenyl]-2-propenamide
DTXSID701147014
ZINC03874993
2-cyano-3-[3-ethoxy-4-hydroxy-5-(phenylsulfanylmethyl)phenyl]prop-2-enamide
SDCCGSBI-0647611.P002
Q27164644
(Z)-2-cyano-3-(3-ethoxy-4-hydroxy-5-(phenylthiomethyl)phenyl)acrylamide
2-cyano-3-[3-ethoxy-4-hydroxy-5-[(5-phenylthio)methyl]phenyl]-2-propenamide