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Isoxazole derivative

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Identification
Molecular formula
C25H33ClN2O3
CAS number
144556-44-1
IUPAC name
5-[7-[2-chloro-4-(4-methyl-4,5-dihydrooxazol-2-yl)phenoxy]heptyl]-3-methyl-isoxazole
State
State

Under standard conditions, this compound typically exists in a solid state. This property allows it to be easily handled and stored at room temperature, making it relatively stable under usual conditions.

Melting point (Celsius)
120.00
Melting point (Kelvin)
393.15
Boiling point (Celsius)
390.00
Boiling point (Kelvin)
663.15
General information
Molecular weight
443.96g/mol
Molar mass
443.9560g/mol
Density
1.2500g/cm3
Appearence

This compound appears as a solid that may vary in color from a white to an off-white powder. Its precise appearance can provide insights into its purity and state, with impurities potentially causing discoloration.

Comment on solubility

Solubility of 5-[7-[2-chloro-4-(4-methyl-4,5-dihydrooxazol-2-yl)phenoxy]heptyl]-3-methyl-isoxazole

The solubility of the compound 5-[7-[2-chloro-4-(4-methyl-4,5-dihydrooxazol-2-yl)phenoxy]heptyl]-3-methyl-isoxazole (C25H33ClN2O3) can be quite intriguing due to its complex structure. Its solubility behavior can generally be influenced by several factors, such as:

  • Polarity: The presence of polar functional groups can enhance solubility in polar solvents.
  • Hydrogen Bonding: Capable of forming hydrogen bonds can contribute to solubility in water.
  • Molecular Size: Larger molecules often exhibit lower solubility in organic solvents due to steric hindrance.

Given its chlorinated and oxazoline components, the compound is likely to exhibit varying solubility in different solvents:

  • Water: Expected to have limited solubility due to its larger hydrophobic regions.
  • Organic Solvents: More soluble in non-polar or slightly polar organic solvents due to hydrophobic characteristics.
  • Mixed Solvents: Solubility may improve in mixed solvent systems where one solvent can solvate hydrophobic regions while the other addresses polar functionalities.

In practice, determining the exact solubility requires experimental data, but understanding these factors can provide insights into the compound's behavior in solution:

"Solubility is a key characteristic influencing the bioavailability and application of chemical compounds."

In conclusion, investigating this compound's solubility can reveal not just fundamental properties, but also practical implications in various chemical and medicinal applications.

Interesting facts

Interesting Facts about 5-[7-[2-chloro-4-(4-methyl-4,5-dihydrooxazol-2-yl)phenoxy]heptyl]-3-methyl-isoxazole

This intricate compound is a member of the isoxazole family, showcasing a blend of organic chemistry and medicinal properties. Its diverse structure includes unique functionalities that make it a subject of interest in various research fields. Here are some captivating insights:

  • Pharmaceutical Potential: Compounds like this are often explored for their potential therapeutic effects. The presence of the isoxazole structure suggests possible interactions with biological systems, particularly relating to neurological and anti-inflammatory applications.
  • Diverse Functional Groups: This compound contains multiple functional groups, including a chlorine atom and an oxazoline ring, which can contribute to its reactivity and stability in biological conditions. Such complexity often leads to interesting interactions at the molecular level.
  • Synthesis Challenges: The synthesis of this compound is likely to pose unique challenges due to its multi-step reaction pathways and the necessity of maintaining stereochemistry. Chemists must employ innovative techniques to ensure the efficiency and selectivity of reactions.
  • Research Avenues: Studies may focus on the compound's effects in various environments, providing insights into its pharmacokinetics and pharmacodynamics. Researchers are likely to explore its mechanisms of action and efficacy through in vitro and in vivo experimentation.
  • Structure-Activity Relationship (SAR): The complexity of this compound allows for the investigation of SAR, giving a clearer understanding of how structural variations affect biological activity. These insights can guide the design of more effective derivatives.

As a chemist or a student, delving into the study of such advanced compounds can enhance your understanding of organic synthesis and its implications in drug development. Echoing the sentiment of many scientists, the pursuit of knowledge in chemistry is often likened to "speaking the language of nature." This compound exemplifies that idea.

Synonyms
Compound II(R/S)
CHEMBL26881
CHEBI:3844
5-[7-[2-chloro-4-(4-methyl-4,5-dihydrooxazol-2-yl)phenoxy]heptyl]-3-methyl-isoxazole
5-[7-[2-chloro-4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenoxy]heptyl]-3-methyl-1,2-oxazole
AC1L1C8U
CTK6C3704
SureCN9668763
SCHEMBL9668763
Isoxazole, 5-[7-[2-chloro-4-(4,5-dihydro-4-methyl-2-oxazolyl)phenoxy]heptyl]-3-methyl-
PD035987
C06492
Q27106208
5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole