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Diethylammonium 2-(5-phenylisoxazol-3-yl)ethyl-2,4-dihydroxy-4-oxobutanoate

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Identification
Molecular formula
C19H22N2O6
CAS number
181269-70-5
IUPAC name
2-(carboxymethyl)-2,4-dihydroxy-4-oxo-butanoate;diethyl-[2-(5-phenylisoxazol-3-yl)ethyl]ammonium
State
State

At room temperature, this compound is in a solid state. It is stable under normal temperatures and pressures but should be handled with care to avoid dust generation and accumulation.

Melting point (Celsius)
144.00
Melting point (Kelvin)
417.15
Boiling point (Celsius)
482.10
Boiling point (Kelvin)
755.25
General information
Molecular weight
388.43g/mol
Molar mass
388.4250g/mol
Density
1.2800g/cm3
Appearence

This compound is typically found as a crystalline powder that may exhibit a white to off-white color. It does not have a distinctive smell and should be stored in a tightly sealed container to minimize its sensitivity to environmental conditions.

Comment on solubility

Solubility of 2-(carboxymethyl)-2,4-dihydroxy-4-oxo-butanoate;diethyl-[2-(5-phenylisoxazol-3-yl)ethyl]ammonium

The solubility characteristics of 2-(carboxymethyl)-2,4-dihydroxy-4-oxo-butanoate; diethyl-[2-(5-phenylisoxazol-3-yl)ethyl]ammonium can be quite intriguing due to its complex structure. Understanding its solubility is crucial for applications in pharmaceuticals and chemical research. Here are some key points regarding its solubility:

  • Aqueous Solubility: The presence of carboxymethyl and hydroxyl groups suggests that this compound may have a degree of solubility in water. These functional groups can facilitate hydrogen bonding with water molecules.
  • Organic Solvents: Solubility in organic solvents may vary. The isoxazole and phenyl groups could increase the compound's lipophilicity, indicating potential solubility in non-polar organic solvents.
  • pH Dependency: The solubility is likely to be influenced by the pH of the solution. Under acidic conditions, the carboxyl groups may be protonated, affecting the overall solubility.
  • Temperature Effect: Increasing the temperature typically enhances solubility for many compounds. However, this can vary based on the compound's unique interactions.

In summary, while the solubility profile of this compound appears to be promising due to its functional groups, it is essential to conduct experimental studies to ascertain the specific solubility in various solvents and conditions. Remember, as with many chemical compounds, "solubility is a reflection of chemical structure and its interactions with surrounding media." This makes it a compelling topic for further investigation.

Interesting facts

Interesting Facts about 2-(carboxymethyl)-2,4-dihydroxy-4-oxo-butanoate; diethyl-[2-(5-phenylisoxazol-3-yl)ethyl]ammonium

This compound is a unique addition to the realm of organic chemistry, combining various functional groups that contribute to its diverse properties and applications. Here are some noteworthy aspects of this fascinating compound:

  • Complex Structure: The compound features a carboxymethyl group as well as multiple hydroxyl groups, which enhance its solubility and reactivity with various substrates.
  • Pharmacological Potential: The presence of the isoxazole ring system suggests potential applications in medicinal chemistry, particularly in the development of new pharmaceuticals targeting specific biological pathways.
  • Versatile Applications: Due to its structural characteristics, it could be explored for use in various fields, including agriculture as a biodegradable herbicide or in biochemistry as a biochemical probe.
  • Interactions and Reactivity: The diethylammonium portion can facilitate ionic interactions in biological systems, making it an interesting candidate for studying enzyme-substrate interactions.
  • Innovation in Synthesis: Synthesizing such compounds can push the boundaries of organic synthesis, encouraging researchers to develop new methodologies for constructing complex molecules.

Furthermore, when examining this compound in a laboratory setting, one might say:

"The interplay of the phenylisoxazole and the dihydroxybutanoate segments offers a remarkable insight into how structural diversity can lead to functional variability."

In summary, the intricacies of 2-(carboxymethyl)-2,4-dihydroxy-4-oxo-butanoate; diethyl-[2-(5-phenylisoxazol-3-yl)ethyl]ammonium open up a plethora of avenues for research and innovation in science. Its unique composition not only piques interest for chemical exploration but also holds the promise of advancing various applications in the industry.

Synonyms
3-(2-(Diethylamino)ethyl)-5-phenylisoxazole citrate
912-02-7
ISOXAZOLE, 3-(2-(DIETHYLAMINO)ETHYL)-5-PHENYL-, CITRATE (1:1)
DTXSID20238444
DTXCID40160935
2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;diethyl-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]azanium
CHEBI:192393