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Posaconazole

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Identification
Molecular formula
C37H42F2N8O4
CAS number
171228-49-2
IUPAC name
[3-(2-methylphenoxy)-2-(pyridine-3-carbonyloxy)propyl] pyridine-3-carboxylate
State
State

At room temperature, Posaconazole is in a solid state. It is typically formulated into tablets or liquid suspensions for pharmaceutical use.

Melting point (Celsius)
170.00
Melting point (Kelvin)
443.15
Boiling point (Celsius)
650.00
Boiling point (Kelvin)
923.15
General information
Molecular weight
700.78g/mol
Molar mass
700.7770g/mol
Density
1.3600g/cm3
Appearence

Posaconazole appears as a white to off-white solid powder. The compound's crystallinity can vary slightly, leading to differences in its exact shade and texture.

Comment on solubility

Solubility of [3-(2-methylphenoxy)-2-(pyridine-3-carbonyloxy)propyl] pyridine-3-carboxylate

The solubility of [3-(2-methylphenoxy)-2-(pyridine-3-carbonyloxy)propyl] pyridine-3-carboxylate can be influenced by several factors, particularly due to its complex structure.

  • Polarity: The presence of the pyridine rings and the carbonyloxy group contributes to the compound's overall polarity. Polar molecules typically exhibit higher solubility in polar solvents such as water or ethanol.
  • Functional Groups: The functionalities like the ether (–O–) and ester (–COO–) groups may enhance solubility through hydrogen bonding or dipole interactions with solvents.
  • Solvent Interaction: When considering solubility, it's crucial to evaluate compatibility with various solvents. For instance, compounds with aromatic systems may dissolve well in organic solvents like DMSO or acetone.
  • Temperature Effects: Typically, an increase in temperature tends to increase solubility for many organic compounds, making it essential to conduct solubility assessments at varying temperatures.
  • Concentration Dependency: The solubility may change with concentration, necessitating dilution to determine effective solubility thresholds.

In conclusion, understanding the solubility of [3-(2-methylphenoxy)-2-(pyridine-3-carbonyloxy)propyl] pyridine-3-carboxylate is crucial for its applications, particularly in pharmaceuticals or material sciences. Therefore, it can be beneficial to conduct comprehensive solubility studies across different conditions to fully grasp its characteristics.

Interesting facts

Interesting Facts about [3-(2-methylphenoxy)-2-(pyridine-3-carbonyloxy)propyl] pyridine-3-carboxylate

This intriguing compound presents a rich tapestry of chemical functionality and potential applications. Often recognized for its unique molecular structure, it features a complex interplay of aromatic rings and functional groups that appeal to researchers in various fields.

Chemical Structure and Functionality

The compound integrates:

  • A pyridine ring, known for its contributions to medicinal chemistry.
  • A phenoxy group, which increases lipophilicity and can enhance bioactivity.
  • Carboxylate functionality, which could play a role in interactions with biological targets.

This diverse structural make-up is what makes it particularly interesting to study, as different components can impart distinct properties to the molecule.

Potential Applications

Research indicates that compounds like [3-(2-methylphenoxy)-2-(pyridine-3-carbonyloxy)propyl] pyridine-3-carboxylate may have applications in:

  • Pharmaceuticals: Due to its varied functionalities, it may act as an intermediate in drug synthesis.
  • Agricultural chemistry: The phenoxy groups are often associated with herbicidal activity.
  • Material science: Such compounds might contribute to the development of novel materials with specific electrical or optical properties.

In the Lab: Key Takeaways

When studying this compound, scientists should consider:

  • Reactivity: Its various functional groups could lead to diverse reactivity patterns.
  • Biological Screening: Promising candidates for therapeutic uses may emerge from studying this compound's interaction with biological pathways.
  • Property Modulation: Changing substitutions on the ring structures may lead to modifications in properties that can be advantageous for specific applications.

In conclusion, the compound [3-(2-methylphenoxy)-2-(pyridine-3-carbonyloxy)propyl] pyridine-3-carboxylate is a gateway to explore chemical interactions that could unravel new scientific insights and innovations. As researchers delve deeper into its properties, the potential for discovery expands ever further.

Synonyms
3-(o-Tolyloxy)-1,2-propanediol dinicotinate
19251-71-9
Mephenesin dinicotinate
BRN 0454386
3-Pyridinecarboxylic acid, 1-((2-methylphenoxy)methyl)-1,2-ethanediyl ester
DTXSID80940915
NICOTINIC ACID, ((o-TOLYLOXY)METHYL)ETHYLENE ESTER
3-(2-Methylphenoxy)propane-1,2-diyl dipyridine-3-carboxylate