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Tert-butyl 5-methyl-3-(5-nitro-2-furyl)isoxazole-4-carboxylate

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Identification
Molecular formula
C13H14N2O6
CAS number
7201-77-2
IUPAC name
tert-butyl 5-methyl-3-(5-nitro-2-furyl)isoxazole-4-carboxylate
State
State
The compound is typically in a solid state at room temperature, usually forming powder-like or crystalline aggregates.
Melting point (Celsius)
96.00
Melting point (Kelvin)
369.00
Boiling point (Celsius)
313.00
Boiling point (Kelvin)
586.00
General information
Molecular weight
294.26g/mol
Molar mass
294.2610g/mol
Density
1.3000g/cm3
Appearence

The compound typically appears as a yellow crystalline solid, indicative of many nitro-substituted aromatic compounds. Its crystalline structure may vary depending on the specific method of crystallization and environmental conditions.

Comment on solubility

Solubility of tert-butyl 5-methyl-3-(5-nitro-2-furyl)isoxazole-4-carboxylate

The solubility of tert-butyl 5-methyl-3-(5-nitro-2-furyl)isoxazole-4-carboxylate is influenced by several factors, including its molecular structure and interactions with solvents. Generally, this compound exhibits the following characteristics regarding solubility:

  • Polarity: The presence of functional groups may impact the polarity of the compound, affecting its solubility in polar vs. non-polar solvents.
  • Solvent Compatibility: Commonly, organic solvents such as methanol, ethanol, and dichloromethane are more likely to dissolve compounds with similar polar characteristics.
  • Hydrogen Bonding: The capacity for hydrogen bonding can play a crucial role in the solubility; compounds capable of forming hydrogen bonds tend to show higher solubility in polar solvents.
  • Temperature Dependency: Solubility can vary significantly with temperature, as increased temperature often enhances solubility for many organic compounds.

To summarize, while the exact solubility of tert-butyl 5-methyl-3-(5-nitro-2-furyl)isoxazole-4-carboxylate may require empirical determination, it is likely to be soluble in certain organic solvents, reflecting its unique chemical structure. Understanding the solubility behavior is vital for applications in pharmaceuticals, where formulation development relies heavily on the solubility of compounds.

Interesting facts

Interesting Facts about tert-butyl 5-methyl-3-(5-nitro-2-furyl)isoxazole-4-carboxylate

tert-butyl 5-methyl-3-(5-nitro-2-furyl)isoxazole-4-carboxylate is a fascinating compound known for its unique structure and significant applications in various fields. Here are some engaging insights:

  • Structural Composition: This compound features a distinct isoxazole ring, which contributes to its chemical reactivity. The presence of both the tert-butyl group and the 5-nitro-2-furyl substituent adds complexity and versatility to its chemical properties.
  • Chemical Synthesis: The synthesis of tert-butyl 5-methyl-3-(5-nitro-2-furyl)isoxazole-4-carboxylate typically involves multiple steps, often using specialized reagents and catalysts. This intricate process showcases the creativity and precision required in organic chemistry.
  • Biological Activity: Compounds like this one have garnered attention for their potential biological activities. Research indicates that derivatives of isoxazoles can exhibit anti-inflammatory, anti-cancer, and antimicrobial properties, making them promising candidates for drug development.
  • Applications in Material Science: Beyond biological applications, this compound is also investigated for its usefulness in material sciences. Isoxazole derivatives are often incorporated into polymers and composite materials, enhancing properties like thermal stability and mechanical strength.
  • Research Significance: Ongoing studies focus on the reactivity and applications of this compound in medicinal chemistry. Its unique nitrated furyl group may lead to novel therapeutic agents, showcasing the potential for innovative treatments based on its structural diversity.

In summary, tert-butyl 5-methyl-3-(5-nitro-2-furyl)isoxazole-4-carboxylate is not only a remarkable example of organic synthesis but also a compound with promising applications across multiple scientific domains. As research progresses, its full potential continues to unfold, paving the way for exciting discoveries in chemistry and beyond.

Synonyms
4-ISOXAZOLECARBOXYLIC ACID, 5-METHYL-3-(5-NITRO-2-FURYL)-, tert-BUTYL ESTER
22996-62-9
5-Methyl-3-(5-nitro-2-furyl)-4-isoxazolecarboxylic acid tert-butyl ester
DTXSID80177542