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Identification
Molecular formula
C25H36N4O5
CAS number
40968-45-4
IUPAC name
6-benzyl-3-isopropyl-9-[6-(oxiran-2-yl)-6-oxo-hexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
State
State

At room temperature, the compound is in solid state, appearing as a fine crystalline powder. It is relatively stable but should be stored in airtight containers to prevent degradation.

Melting point (Celsius)
246.00
Melting point (Kelvin)
519.15
Boiling point (Celsius)
530.00
Boiling point (Kelvin)
803.15
General information
Molecular weight
448.55g/mol
Molar mass
448.5480g/mol
Density
1.2500g/cm3
Appearence

This compound is typically a crystalline solid that may appear as a white powder. It should be handled in a well-controlled laboratory environment to prevent exposure due to its potential reactivity.

Comment on solubility

Solubility of 6-benzyl-3-isopropyl-9-[6-(oxiran-2-yl)-6-oxo-hexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone (C25H36N4O5)

The solubility of chemical compounds can vary significantly based on their molecular structure, functional groups, and the solvents used. In the case of 6-benzyl-3-isopropyl-9-[6-(oxiran-2-yl)-6-oxo-hexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone, we consider the following aspects:

  • Molecular Weight: The compound has a fairly high molecular weight due to its complex structure, which can affect its solubility in various solvents.
  • Functional Groups: The presence of polar functional groups (oxirane and carbonyls) may facilitate solubility in polar solvents such as water or methanol.
  • Hydrophobic Regions: The presence of hydrophobic benzyl and isopropyl moieties can lead to limited solubility in aqueous environments while enhancing solubility in organic solvents like dichloromethane or ethanol.
  • Temperature Dependence: Solubility often increases with temperature; thus, experimenting at various temperatures may yield different solubility profiles.

In summary, the solubility of this compound is likely to be:

  1. Higher in polar organic solvents
  2. Moderate in water as temperature increases
  3. Limited in non-polar solvents due to its complex structure

To obtain specific solubility data, conducting experimental analyses under controlled conditions remains essential, as theoretical predictions alone may not capture the nuances of solvent interactions.

Interesting facts

Interesting Facts about 6-benzyl-3-isopropyl-9-[6-(oxiran-2-yl)-6-oxo-hexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone

This complex compound, with its intricate structure, is a fascinating subject of study in the field of organic and medicinal chemistry. Its unique features make it a noteworthy candidate for various applications:

  • Structural Complexity: The compound's structure incorporates a tetrazabicyclic framework, which is rare and significant due to its potential in synthesizing advanced materials and pharmaceuticals.
  • Oxirane Group: The presence of an oxirane (epoxide) ring adds to the chemical's reactivity, opening doors for inclusion in organic synthesis and polymerization reactions.
  • Versatility in Synthesis: The incorporation of both benzyl and isopropyl groups suggests that this compound may serve as a versatile building block for further chemical modifications.
  • Biological Potential: Compounds with similar tetrazole structures have been explored for their biological activities, suggesting that this compound may hold promise for pharmaceutical applications.
  • Molecular Interaction: The presence of multiple functional groups allows for a variety of interactions with biological macromolecules, which could be a key factor in its activity as a drug candidate.

In conclusion, the study of 6-benzyl-3-isopropyl-9-[6-(oxiran-2-yl)-6-oxo-hexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone is a noteworthy exploration.
Its rich structural characteristics and potential applications in medicinal chemistry make it an exciting area for future research.