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Celecoxib

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Identification
Molecular formula
C17H14FN3O2
CAS number
169590-42-5
IUPAC name
N'-[[4-(dimethylamino)phenyl]methyl]-5-methyl-isoxazole-3-carbohydrazide
State
State

At room temperature, Celecoxib is typically in a solid state, appearing as a crystalline powder.

Melting point (Celsius)
159.00
Melting point (Kelvin)
432.15
Boiling point (Celsius)
450.00
Boiling point (Kelvin)
723.15
General information
Molecular weight
381.37g/mol
Molar mass
381.3720g/mol
Density
1.2670g/cm3
Appearence

The compound typically forms as a white to off-white crystalline powder.

Comment on solubility

Solubility of N'-[[4-(dimethylamino)phenyl]methyl]-5-methyl-isoxazole-3-carbohydrazide

The solubility of the compound N'-[[4-(dimethylamino)phenyl]methyl]-5-methyl-isoxazole-3-carbohydrazide is an intriguing aspect worth exploring. This compound, with its diverse functional groups, exhibits unique interactions with solvents that significantly influence its solubility. We can summarize its solubility properties as follows:

  • Polar Solvents: The presence of the hydrazide functional group suggests that the compound may show reasonable solubility in polar solvents such as water and methanol.
  • Non-Polar Solvents: Conversely, the dimethylamino and isoxazole groups contribute to some hydrophobic character, indicating potential solubility in non-polar solvents like dichloromethane and chloroform.
  • Effect of pH: The solubility may vary with pH levels, particularly due to the basic nature of the dimethylamino group, which can protonate, enhancing solubility in acidic conditions.

Additionally, it's important to note that the solubility of this compound can also be influenced by temperature and concentration of the solvent. As a rule of thumb, “like dissolves like” applies here; thus, understanding the overall polarity of the solvent in relation to the compound will guide effective dissolution strategies.

In conclusion, while this compound may possess moderate solubility in a range of solvents, experimentation is essential for precise solubility determination, taking into account the various factors that affect it.

Interesting facts

Interesting Facts about N'-[[4-(dimethylamino)phenyl]methyl]-5-methyl-isoxazole-3-carbohydrazide

N'-[[4-(dimethylamino)phenyl]methyl]-5-methyl-isoxazole-3-carbohydrazide is a fascinating compound that showcases the intersection of organic synthesis and pharmacological research. Here are some notable aspects of this compound:

  • Structural Significance: This compound features a unique isoxazole ring, which plays a significant role in various biological activities due to its electron-rich characteristics.
  • Dimethylamino Group: The presence of the dimethylamino group is known to enhance the lipophilicity of molecules, potentially aiding in their absorption through biological membranes.
  • Potential Applications: Compounds with similar structures have been studied for their potential use in pharmaceuticals, particularly as anti-inflammatory agents and antimicrobial agents. Researchers are continuously exploring their therapeutic possibilities.
  • Synthetic Approach: The synthesis of this compound may involve modern techniques such as Cu-catalyzed reactions or click chemistry, making it an interesting subject for students and researchers interested in synthetic methods.
  • Research Opportunities: Exploring the reactivity and modifications of this compound can help students understand crucial concepts such as reactivity patterns and functional group transformations.

In conclusion, N'-[[4-(dimethylamino)phenyl]methyl]-5-methyl-isoxazole-3-carbohydrazide serves as a prime example of how structural features influence biological activity. As scientists continue to explore the implications of such compounds, they contribute to our growing understanding of synthetic and medicinal chemistry.

Synonyms
328-33-6
BRN 0888583
Ro 5-1025
3-ISOXAZOLECARBOXYLIC ACID, 5-METHYL-, 2-(p-(DIMETHYLAMINO)BENZYL)HYDRAZIDE
DTXSID30186467
N'-(4-(Dimethylamino)benzyl)-5-methylisoxazole-3-carbohydrazide
5-Methyl-3-isoxazolecarboxylic acid 2-(p-(dimethylamino)benzyl)hydrazide
3-Isoxazolecarboxylic acid, 5-methyl-, 2-((4-(dimethylamino)phenyl)methyl)hydrazide
N'-[[4-(DIMETHYLAMINO)PHENYL]METHYL]-5-METHYL-1,2-OXAZOLE-3-CARBOHYDRAZIDE
DTXCID40108958
1-(p-dimethylaminobenzyl)-2(5-methyl-3-isoxazolylcarbonyl)-hydrazine
3-Isoxazolecarboxylic acid, 5-methyl-, 2-((4-(dimethylamino)phenyl)methyl)hydrazide (9CI)