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Tolvaptan

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Identification
Molecular formula
C26H25ClN2O7
CAS number
150683-30-0
IUPAC name
2-[6-[1-ethyl-4-[1-ethyl-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]buta-1,3-dienyl]-5-methyl-tetrahydropyran-2-yl]propanoic acid
State
State

Tolvaptan is usually found in a solid state at room temperature.

Melting point (Celsius)
215.00
Melting point (Kelvin)
488.20
Boiling point (Celsius)
526.30
Boiling point (Kelvin)
799.40
General information
Molecular weight
448.94g/mol
Molar mass
448.5680g/mol
Density
1.2506g/cm3
Appearence

Tolvaptan is typically a white to off-white crystalline powder.

Comment on solubility

Solubility of 2-[6-[1-ethyl-4-[1-ethyl-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]buta-1,3-dienyl]-5-methyl-tetrahydropyran-2-yl]propanoic acid (C26H25ClN2O7)

The solubility of 2-[6-[1-ethyl-4-[1-ethyl-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]buta-1,3-dienyl]-5-methyl-tetrahydropyran-2-yl]propanoic acid in various solvents can be quite complex due to its intricate molecular structure. Here are some important points to consider:

  • Polar Solvents: This compound may display limited solubility in polar solvents such as water, owing to the presence of hydrophobic groups in its structure.
  • Non-Polar Solvents: Conversely, solubility in non-polar solvents like hexane or toluene might be favorable, as these solvents can better interact with the hydrophobic regions.
  • pH Influence: The solubility in aqueous solutions could be significantly affected by the pH of the solution, particularly due to the presence of the carboxylic acid functional group.
  • Concentration Factors: The concentration of the compound in solution can also play a critical role, with higher concentrations potentially leading to precipitation.

In summary, the solubility of this compound is dependent on a variety of factors including the nature of the solvent, pH levels, and concentration, which underscores the need for careful evaluation in practical applications. Exploring the solubility in both polar and non-polar environments will provide more insight into its potential uses in chemical formulations.

Interesting facts

Interesting Facts about 2-[6-[1-ethyl-4-[1-ethyl-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]buta-1,3-dienyl]-5-methyl-tetrahydropyran-2-yl]propanoic acid

2-[6-[1-ethyl-4-[1-ethyl-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]buta-1,3-dienyl]-5-methyl-tetrahydropyran-2-yl]propanoic acid is a complex organic compound that showcases the intricate creativity of organic chemistry. Here are some fascinating aspects of this compound:

  • Structure Complexity: This compound features a multi-ring structure, which is somewhat characteristic of bioactive molecules. Its complexity poses unique challenges in synthesis and characterizing its properties.
  • Functional Groups: The presence of various functional groups, including an acid group and multiple carbonyls, indicates potential for biological activity. Compounds with such functionalities are often explored for medicinal properties.
  • Potential Biological Significance: Molecules like this often serve as templates for the development of pharmaceuticals. The tetrahyrdro and carbonyl functionalities could suggest that it may interact with biological targets in interesting ways.
  • Synthetic Interest: The intricate synthesis of such compounds is an exciting area of research. Chemists often focus on developing new methods for synthesizing complex organic compounds, and the synthesis of this particular molecule could reveal novel methodologies and insights.
  • Chemical Behavior: Organic compounds with similar structures may exhibit unique reactivity patterns, including the potential formation of conjugated systems which can lead to interesting electronic properties. This implies potential applications in materials science.

In conclusion, 2-[6-[1-ethyl-4-[1-ethyl-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]buta-1,3-dienyl]-5-methyl-tetrahydropyran-2-yl]propanoic acid serves as an excellent example of how intricate organic synthesis can lead to potentially valuable molecules. As scientists continue to explore the depths of organic chemistry, compounds like this will undoubtedly play a crucial role in advancing our understanding and capability in the field.

Synonyms
INDANOMYCIN
2-[6-[6-[1-ethyl-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]hexa-3,5-dien-3-yl]-5-methyloxan-2-yl]propanoic acid
66513-28-8