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Halichonadin B

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Identification
Molecular formula
C22H24Cl2O4
CAS number
125738-58-1
IUPAC name
(4R,8S,12R)-8-acetyl-11,12-dichloro-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
State
State

At room temperature, Halichonadin B exists as a solid due to its high molecular weight and strong intermolecular forces owing to the compound's complex polycyclic structure.

Melting point (Celsius)
178.00
Melting point (Kelvin)
451.00
Boiling point (Celsius)
430.00
Boiling point (Kelvin)
703.00
General information
Molecular weight
470.33g/mol
Molar mass
470.3210g/mol
Density
1.4300g/cm3
Appearence

Halichonadin B is typically an off-white to pale yellow solid compound. Due to its complex cyclic structure, it crystallizes in distinct patterns.

Comment on solubility

Solubility of (4R,8S,12R)-8-acetyl-11,12-dichloro-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one

The solubility of the compound (4R,8S,12R)-8-acetyl-11,12-dichloro-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one varies significantly based on the solvent used and the specific environmental conditions it is subjected to. Here are some key points regarding its solubility:

  • Polar solvents: The presence of chlorine atoms and polar functionalities suggests that the compound may exhibit some degree of solubility in polar solvents, though its overall structure indicates it may be relatively hydrophobic.
  • Non-polar solvents: Due to its extensive hydrocarbon framework, this compound is expected to have better solubility in non-polar solvents like hexane or benzene.
  • Solvent effects: Temperature, pressure, and solvent composition can significantly influence solubility. Increased temperatures typically enhance solubility for many organic compounds.

Overall, while specific solubility data may vary, understanding the balance of polar and non-polar characteristics in the structure of this compound helps predict its behavior in various solutions. It's essential to conduct empirical tests to determine precise solubility profiles under different conditions.

Interesting facts

Interesting Facts about (4R,8S,12R)-8-acetyl-11,12-dichloro-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one

This complex compound, with its intricate structure, is an excellent example of the beauty and complexity found in organic chemistry. Here are some fascinating insights into this unique molecule:

  • Stereochemistry: The designation of the compound includes specific stereochemical configurations, indicated by the 4R, 8S, and 12R labels. This highlights the presence of multiple chiral centers, which play a crucial role in determining the compound's overall properties and biological activity.
  • Structural Complexity: The pentacyclic structure, denoted by the term "pentacyclo", offers diverse chemical reactivity due to its unique arrangement of rings. Such compounds often exhibit interesting conformational behavior and molecular interactions.
  • Natural Product Inspiration: Many complex organic compounds are derived from natural products. The intricate design of this compound may have inspirations or analogs in nature, particularly in alkaloids or terpenoids, which often exhibit powerful biological activities.
  • Potential Applications: With its specific functional groups and spatial configuration, this compound may have potential applications in pharmaceuticals, agrochemicals, or as a synthetic intermediate in organic synthesis, showcasing the practical importance of understanding such complex molecules.
  • Green Chemistry Implications: The synthesis of complex organic compounds often raises questions about sustainability. Researchers are increasingly focused on developing green chemistry methods to create such compounds with minimal environmental impact.

In summary, the (4R,8S,12R)-8-acetyl-11,12-dichloro-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one compound serves as a profound reminder of the intricate relationships between structure, reactivity, and application in the field of organic chemistry. Its study not only expands our understanding of chemical diversity but also paves the way for innovative developments in various scientific domains.