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Diethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]ammonium 3-carboxy-3,5-dihydroxy-5-oxo-pentanoate

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Identification
Molecular formula
C21H25N3O7
CAS number
123456-78-9
IUPAC name
3-carboxy-3,5-dihydroxy-5-oxo-pentanoate;diethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]ammonium
State
State

At room temperature, this compound is generally a solid. Its relatively high melting point indicates a stable crystalline structure under standard conditions.

Melting point (Celsius)
160.00
Melting point (Kelvin)
433.15
Boiling point (Celsius)
300.00
Boiling point (Kelvin)
573.15
General information
Molecular weight
380.45g/mol
Molar mass
380.4500g/mol
Density
1.2300g/cm3
Appearence

This compound typically appears as a crystalline solid. It may have a glassy or translucent appearance depending on its purity and polymorphic state.

Comment on solubility

Solubility of 3-carboxy-3,5-dihydroxy-5-oxo-pentanoate;diethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]ammonium

This compound, which features a complex structure with multiple functional groups, presents an intriguing profile when it comes to solubility.

Factors Influencing Solubility

Solubility can be influenced by various factors, including:

  • Functional Groups: The presence of both carboxy and hydroxyl groups suggests potential hydrogen bonding, which could enhance solubility in polar solvents like water.
  • Ionization: The diethylammonium component may ionize in solution, contributing to increased solubility due to the electrostatic interactions with solvent molecules.
  • Molecular Size: The larger molecular structure, aided by the oxadiazolyl group, can affect how the compound interacts with solvents.

Expected Solubility

Based on its composition, we can anticipate:

  • Good solubility in polar solvents
  • Limited solubility in non-polar solvents

For those working in the laboratory, it's essential to note the solvent choice, as it significantly affects where and how this compound can be effectively utilized. In practical applications, testing the solubility in various solvents can provide valuable insights into the compound's behavior in different environments.

Interesting facts

Interesting Facts about 3-Carboxy-3,5-dihydroxy-5-oxo-pentanoate; Diethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]ammonium

This fascinating compound combines elements of organic synthesis and medicinal chemistry, making it a subject of interest for researchers focusing on drug development and therapeutic applications. Here are some key points about this compound:

  • Functional Groups: The presence of carboxy and hydroxy groups highlight its potential reactivity in various organic reactions, allowing for a wide range of chemical transformations.
  • Oxadiazole Moiety: The inclusion of the 1,2,4-oxadiazole ring suggests significant biological activity. Compounds containing this moiety have been studied for their anti-inflammatory, antimicrobial, and anticancer properties.
  • Ammonium Salt: This compound is structured as a quaternary ammonium salt, indicating its likely ionization and strong solubility in polar solvents, which enhances its biological accessibility.
  • Pharmacological Potential: With the oxadiazole structure and ammonium component, there are ongoing investigations into its use as a drug candidate, potentially targeting specific pathways in diseases.
  • Interdisciplinary Application: This compound is a prime example of how chemistry, biology, and pharmacology intersect, encouraging collaboration among various scientific fields.

As scientists dive deeper into its properties and potential applications, this compound might one day lead to the development of innovative therapies. Its complex structure embodies the creativity and challenge of modern chemical research.

Synonyms
Oxolamine dihydrogen citrate
3-carboxy-3,5-dihydroxy-5-oxopentanoate;diethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]azanium
EINECS 217-760-6
UNII-K5X4XBR694
5-beta-Diethylaminoethyl-3-phenyl-1,2,4-oxadiazole citrate
3-Phenyl-5-(beta-(diethylamino)ethyl)-1,2,4-oxadiazole citrate
1,2,4-OXADIAZOLE, 5-(2-(DIETHYLAMINO)ETHYL)-3-PHENYL-, CITRATE
AKOS026749941
NSC 759304