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4-benzylidene-3-methylisoxazol-5(4H)-one

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Identification
Molecular formula
C11H9NO2
CAS number
712-48-1
IUPAC name
4-benzylidene-3-methyl-isoxazol-5-one
State
State

At room temperature, 4-benzylidene-3-methylisoxazol-5(4H)-one is typically found in a solid state, usually in the form of its crystalline structure.

Melting point (Celsius)
145.00
Melting point (Kelvin)
418.15
Boiling point (Celsius)
162.00
Boiling point (Kelvin)
435.15
General information
Molecular weight
199.19g/mol
Molar mass
199.1910g/mol
Density
1.2625g/cm3
Appearence

The compound 4-benzylidene-3-methylisoxazol-5(4H)-one appears as a yellow crystalline solid. It may have a characteristic odor typical of similar aromatic compounds.

Comment on solubility

Solubility of 4-benzylidene-3-methyl-isoxazol-5-one

The solubility of 4-benzylidene-3-methyl-isoxazol-5-one is a topic of considerable interest in the field of chemical sciences. This compound, known for its unique structure, exhibits varying solubility characteristics depending on the solvent used. Below are some key points regarding its solubility:

  • Polar Solvents: 4-benzylidene-3-methyl-isoxazol-5-one tends to have low solubility in polar solvents such as water due to the hydrophobic nature of the benzylidene group.
  • Non-Polar Solvents: It demonstrates higher solubility in non-polar solvents like hexane or toluene, where the compound's hydrophobic interactions are favored.
  • Temperature Dependence: Solubility may increase with temperature, which is a characteristic observed in many organic compounds.
  • pH Influence: The solubility of the compound may also be affected by the pH of the solution, potentially altering its structural form and solubility profile.

In summary, the solubility of 4-benzylidene-3-methyl-isoxazol-5-one is primarily dictated by its non-polar characteristics, rendering it more soluble in non-polar environments. Understanding these solubility properties is crucial for applications in pharmaceuticals and organic synthesis.

Interesting facts

Insights into 4-benzylidene-3-methyl-isoxazol-5-one

4-benzylidene-3-methyl-isoxazol-5-one is a fascinating compound that falls within the class of isoxazoles, which are five-membered heterocyclic compounds featuring both nitrogen and oxygen atoms. This structural uniqueness lends itself to a variety of interesting properties and applications:

  • Pharmaceutical Potential: Compounds like 4-benzylidene-3-methyl-isoxazol-5-one are known for their biological activity, making them targets for drug discovery. They often exhibit anti-inflammatory, analgesic, and antimicrobial properties, which are of particular interest in medicinal chemistry.
  • Versatile Synthesis: This compound can be synthesized using diverse synthetic pathways, showcasing the adaptability of organic reactions. Chemists may employ various reaction strategies, including condensation reactions, to assemble the isoxazole framework efficiently.
  • Research Applications: The unique chemical properties of 4-benzylidene-3-methyl-isoxazol-5-one allow for its use in materials science, particularly in the development of sensors and organic light-emitting diodes (OLEDs), benefiting from its potential electronic properties.
  • Structure-Activity Relationship (SAR): The study of this compound offers insights into SAR, enabling researchers to modify the isoxazole core and its substituents for enhanced efficacy or reduced toxicity, which is a crucial aspect of drug design.
  • Incorporating Natural Products: Its structure lends itself to modifications inspired by natural compounds, potentially leading to the discovery of new therapeutic agents derived from nature.

In summation, 4-benzylidene-3-methyl-isoxazol-5-one exemplifies the intricate relationship between structure and function in organic compounds. As researchers delve deeper into its properties and potential applications, this compound may pave the way for innovative solutions in pharmaceuticals and materials science.

Synonyms
4-Benzylidene-3-methyl-2-isoxazolin-5-one
Maybridge3_004332
NCIOpen2_000312
SCHEMBL29246650
DTXSID201036028
3-methyl-4-benzylideneisoxazolin-5-one