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Epoxiconazole

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Identification
Molecular formula
C17H13ClFN3O
CAS number
133855-98-8
IUPAC name
2-(hydroxymethyl)-1,5-dimethyl-spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-ol
State
State

At room temperature, epoxiconazole is in a solid state.

Melting point (Celsius)
136.90
Melting point (Kelvin)
410.10
Boiling point (Celsius)
505.40
Boiling point (Kelvin)
778.50
General information
Molecular weight
329.76g/mol
Molar mass
329.7630g/mol
Density
1.3700g/cm3
Appearence

Epoxiconazole is typically found as a white to off-white crystalline solid.

Comment on solubility

Solubility Overview

The compound 2-(hydroxymethyl)-1,5-dimethyl-spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-ol, with the molecular formula C17H13ClFN3O, exhibits some fascinating characteristics regarding its solubility.

Factors Influencing Solubility

Several factors significantly influence the solubility of this compound:

  • Polarity: The presence of hydroxymethyl and amine groups suggests moderate polarity, which may facilitate solubility in polar solvents.
  • Hydrogen Bonding: The hydroxyl (-OH) groups can form hydrogen bonds, potentially enhancing solubility in water and alcohols.
  • Hydrophobic Interactions: The hydrophobic dimethyl and aromatic portions may lead to decreased solubility in highly polar solvents but increased compatibility with organic solvents.

In general, compounds with a mix of polar and non-polar features like this one can show a range of solubility behaviors. As a guideline:

  • Slightly soluble in water, as the polar functional groups interact with water molecules.
  • More soluble in organic solvents such as ethanol or methanol due to hydrophobic interactions.

Conclusion

In summary, while specific solubility values can vary based on temperature and pH conditions, understanding the interplay of polar and non-polar components provides insight into the solubility of this intriguing compound. As you consider its applications, keep in mind that the environment plays a crucial role in determining how well it dissolves in various media.

Interesting facts

Interesting Facts about 2-(Hydroxymethyl)-1,5-dimethyl-spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-ol

This compound, a fascinating member of the spirocyclic family, possesses unique structural features that contribute to its significance in various applications. Here are some key points to appreciate its chemical and practical aspects:

  • Structural Complexity: The compound exhibits a spirocyclic structure, characterized by the fusion of multiple rings. Such intricate frameworks often result in enhanced biological activity and intriguing physical properties.
  • Therapeutic Potential: Compounds with spirocyclic structures are frequently explored in medicinal chemistry. They can serve as important scaffolds in drug discovery, providing essential frameworks that modulate biological targets effectively.
  • Oxirane Influence: The presence of an oxirane (epoxide) group in its structure makes this compound highly reactive. This reactivity can be harnessed in organic synthesis, paving the way for the development of other derivatives.
  • Synthetic Versatility: The hydroxymethyl group in the structure allows for further modifications, leading to a variety of derivatives that could possess distinct properties or enhanced efficacy in specific applications.

Overall, the study of 2-(hydroxymethyl)-1,5-dimethyl-spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-ol opens up numerous avenues for exploration in the fields of material science, medicinal chemistry, and organic synthesis. Scientists are continually striving to understand the implications of such compounds, illustrating the ever-growing intersection of chemistry and innovation.

Synonyms
2198-92-7
DB-045748
NS00015392