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Troglitazone

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Identification
Molecular formula
C24H27NO5S
CAS number
97322-87-7
IUPAC name
3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxo-butanoate;diethyl-[2-[3-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]propanoyloxy]ethyl]ammonium
State
State

At room temperature, Troglitazone is a solid compound.

Melting point (Celsius)
163.00
Melting point (Kelvin)
436.15
Boiling point (Celsius)
691.50
Boiling point (Kelvin)
964.70
General information
Molecular weight
441.54g/mol
Molar mass
441.5390g/mol
Density
1.1574g/cm3
Appearence

Troglitazone appears as a solid at room temperature. It has a characteristic luster and may vary in color depending on its purity and form.

Comment on solubility

Solubility of 3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxo-butanoate; diethyl-[2-[3-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]propanoyloxy]ethyl]ammonium

The solubility of this complex compound can be quite fascinating due to its unique structural features and functional groups. Here are some key insights regarding its solubility behavior:

  • Hydrophilicity vs Hydrophobicity: The presence of both −COOH (carboxylic acid) and −OH (hydroxyl) functional groups suggests that the compound may exhibit significant hydrophilic characteristics. Conversely, the cycloheptatriene moiety introduces a more hydrophobic component which can affect overall solubility.
  • Solvent Interaction: The tendency of the compound to solubilize in polar solvents (like water) is likely enhanced due to the multiple polar functional groups. However, the hydrophobic triene might limit its solubility in nonpolar solvents.
  • pH Effects: Variations in pH can substantially influence solubility. For instance, in more acidic conditions, the carboxylic acid may remain protonated, whereas at higher pH, deprotonation could lead to increased solubility due to the formation of negatively charged species.
  • Concentration Dependency: At low concentrations, solubility might be favorable, but as concentration increases, interactions between hydrophobic regions can lead to the formation of aggregates, decreasing solubility in a given solvent.

Overall, the solubility characteristics of this compound are shaped by a delicate balance between its polar and nonpolar regions. Understanding these properties is crucial for its application in various chemical contexts and formulations.

Interesting facts

Interesting Facts about 3-Carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxo-butanoate; Diethyl-[2-[3-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]propanoyloxy]ethyl]ammonium

This unique compound boasts a complex structure that has caught the attention of researchers and chemists alike. Below are some compelling aspects of this chemical:

  • Diverse Applications: This compound may play critical roles in various applications including medicinal chemistry, materials science, and agricultural chemistry.
  • Bioactivity: It is worth noting that the 7-oxocyclohepta-1,3,5-trien-1-yl moiety could lend bioactive properties, making it an interesting candidate for research into pharmaceutical agents.
  • Functional Groups: The compound contains several functional groups, such as carboxy, hydroxy, and oxo, which could contribute to its reactivity and interactions in biochemical pathways.
  • Complexation Potential: The ammonium group creates conditions conducive to forming complexes; this can be vital for improving the solubility and stability of therapeutic compounds.
  • Synthetic Routes: Researchers may explore innovative synthetic routes for producing this compound, possibly leading to novel methodologies that enhance efficiency and yield.
  • Interdisciplinary Interest: Given its intricate architecture, this compound attracts attention not just in chemistry but also in fields like biochemistry and molecular biology.

As scientists delve deeper into its properties, the compound's potential applications could expand significantly, paving the way for exciting discoveries in various sectors. The ongoing study of such compounds exemplifies the dynamic nature of chemical research and its implications for future innovations.

Synonyms
beta-Alanine, N-(7-oxo-1,3,5-cycloheptatrien-1-yl)-, 2-(diethylamino)ethyl ester, citrate (1:1)
15499-10-2
DTXSID70165771
N-(7-Oxo-1,3,5-cycloheptatrien-1-yl)-beta-alanine 2-(diethylamino)ethyl ester citrate
DTXCID4088262