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

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Identification
Molecular formula
C32H36N4O5
CAS number
1820-84-0
IUPAC name
3,6-dibenzyl-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 a solid state. It is stable under normal temperature and pressure conditions.

Melting point (Celsius)
180.00
Melting point (Kelvin)
453.15
Boiling point (Celsius)
590.00
Boiling point (Kelvin)
863.15
General information
Molecular weight
555.67g/mol
Molar mass
555.6700g/mol
Density
1.3600g/cm3
Appearence

The compound is usually found as a crystalline solid with a colorless to off-white appearance. The crystals may vary in size but typically have a high degree of transparency and luster.

Comment on solubility

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

The solubility of complex organic compounds such as 3,6-dibenzyl-9-[6-(oxiran-2-yl)-6-oxo-hexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone (C32H36N4O5) can often be intriguing due to their structural complexity. This particular compound is notable for its large molecular structure and presence of various functional groups, which directly influence its solubility behavior.

Factors Affecting Solubility

Several key factors can influence the solubility of this compound:

  • Molecular Structure: The bicyclic and tetrone framework contributes to hydrophobic characteristics, potentially reducing solubility in polar solvents.
  • Functional Groups: The presence of oxirane and carbonyl groups may enhance solubility in polar solvents, while also facilitating possible interactions with other molecules.
  • Hydrogen Bonding: The capability of the compound to engage in hydrogen bonding with solvents can greatly influence its solubility profile.
  • Temperature: Solubility can vary significantly with temperature; generally, higher temperatures may increase solubility in many organic substances.

In practice, the solubility of 3,6-dibenzyl-9-[6-(oxiran-2-yl)-6-oxo-hexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone would likely be more significant in organic solvents such as ethanol or dimethyl sulfoxide, although precise values can only be determined through experimental validation. Understanding the solubility of such compounds is crucial, especially in applications involving drug design and material science.

Interesting facts

Interesting Facts about 3,6-Dibenzyl-9-[6-(Oxiran-2-yl)-6-Oxo-Hexyl]-1,4,7,10-Tetrazabicyclo[10.3.0]Pentadecane-2,5,8,11-Tetrone

This compound is a fascinating example of a complex organic molecule, known for its structural uniqueness and potential applications in various fields.

Key Insights:

  • Structural Complexity: The compound features a bicyclic structure that includes a tetrazole ring, which is quite rare in organic chemistry, showcasing the diversity of ring systems present in synthetic compounds.
  • Functional Groups: With the presence of oxirane (epoxide) and ketone functionalities, this compound has potential reactivity in organic synthesis, which can be harnessed in creating novel materials or pharmaceuticals.
  • Biological Significance: Compounds with tetrazole rings have been studied for their biological activities, particularly in medicinal chemistry, as they can exhibit significant pharmacological properties. This suggests that this compound may have interesting bioactive potential waiting to be explored.
  • Synthetic Applications: The ability to manipulate the oxirane unit opens pathways for further transformations, allowing chemists to modify the compound and potentially increase its efficacy or reduce toxicity.

As with many complex organic compounds, understanding the synthesis, properties, and applications of this molecule requires an interdisciplinary approach, merging aspects of organic chemistry, material science, and pharmacology.

In Conclusion:

Compounds like 3,6-dibenzyl-9-[6-(oxiran-2-yl)-6-oxo-hexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone exemplify the creativity involved in chemical synthesis and the continuous quest for novel compounds with unique properties. As we continue to explore these complex molecules, there’s no telling what new discoveries await!

Synonyms
trapoxin
SCHEMBL16416753