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Identification
Molecular formula
C13H22N4O3
CAS number
66357-59-3
IUPAC name
[2-(diethylamino)-1-methyl-ethyl] 5-methyl-3-(5-nitro-2-furyl)isoxazole-4-carboxylate
State
State

The compound is generally a solid at room temperature.

Melting point (Celsius)
150.00
Melting point (Kelvin)
423.00
Boiling point (Celsius)
300.00
Boiling point (Kelvin)
573.00
General information
Molecular weight
314.37g/mol
Molar mass
314.3660g/mol
Density
1.2345g/cm3
Appearence

The compound is typically a crystalline solid, often off-white to pale yellow in appearance.

Comment on solubility

Solubility Characteristics

The compound [2-(diethylamino)-1-methyl-ethyl] 5-methyl-3-(5-nitro-2-furyl)isoxazole-4-carboxylate presents intriguing solubility properties that can be influenced by various factors. Here are some key points regarding its solubility:

  • Polarity: The presence of a diethylamino group contributes to the overall polarity of the molecule, which suggests that the compound may exhibit better solubility in polar solvents.
  • Functional Groups: The isoxazole and carboxylate functionalities may enhance solubility in aqueous systems, while the nitro and furan ring may impart unique solubility characteristics.
  • Temperature Dependency: Typically, solubility can increase with temperature; hence, evaluating solubility at different temperatures could yield valuable insights.
  • pH Influence: As a carboxylate ester, the solubility may vary significantly with changes in pH, particularly under acidic or basic conditions.

In conclusion, while specific solubility data may not be readily available for this compound, understanding its structural components allows us to predict that it could show varying solubility patterns in different solvents, with potential enhanced solubility in polar and aqueous conditions. Further empirical studies would be beneficial to elucidate these characteristics more comprehensively.

Interesting facts

Interesting Facts about [2-(diethylamino)-1-methyl-ethyl] 5-methyl-3-(5-nitro-2-furyl)isoxazole-4-carboxylate

This compound is a fascinating entry in the world of organic chemistry due to its unique structural features and potential applications. Known for its isoxazole ring, it presents a combination of heterocyclic and aromatic functionalities, which are significant in medicinal chemistry. Here are some compelling aspects of this compound:

  • Unique Structure: The presence of both an isoxazole ring and a nitro group attached to a furan ring endows the compound with varied chemical properties that may influence its behavior in biological systems.
  • Potential Pharmacological Applications: Compounds containing isoxazole moieties are often explored for their pharmacological activities, including anti-inflammatory and analgesic effects. This particular compound may exhibit therapeutic potential that could be further researched.
  • Dual Amine Functionality: With diethylamino groups, the compound may interact well with biological membranes, enhancing its solubility and ability to permeate cellular barriers, possibly leading to increased efficacy in targeting specific biological pathways.
  • Synthetic Interest: The synthetic pathways leading to compounds like this one are of great interest; understanding the reactivity of such nitro-substituted heterocycles can lead to the development of new synthetic methodologies.
  • Environmental Impact: Studying the stability and degradation of this compound is vital in assessing its environmental impact and safety when used in any practical applications.

In summary, [2-(diethylamino)-1-methyl-ethyl] 5-methyl-3-(5-nitro-2-furyl)isoxazole-4-carboxylate stands at the intersection of organic synthesis and pharmaceutical application. As researchers delve deeper into its properties and effects, this compound may pave the way for novel therapeutic options or spark innovations in chemical synthesis.

Synonyms
21709-30-8
4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 2-(diethylamino)-1-methylethyl ester
DTXSID10944325
1-(diethylamino)propan-2-yl 5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylate
5-Methyl-3-(5-nitro-2-furyl)-4-isoxazolecarboxylic acid 2-(diethylamino)-1-methylethyl ester