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Cyclam

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Identification
Molecular formula
C20H28N4O4
CAS number
42449-78-7
IUPAC name
12-benzylidene-3-isobutyl-1,6,7-trimethyl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
State
State

At room temperature, this compound is typically a solid. It is stable under normal conditions of temperature and pressure. Storage should be in a cool, dry place to maintain its solid state.

Melting point (Celsius)
157.00
Melting point (Kelvin)
430.00
Boiling point (Celsius)
273.00
Boiling point (Kelvin)
546.00
General information
Molecular weight
412.46g/mol
Molar mass
412.4600g/mol
Density
1.2300g/cm3
Appearence

The compound typically appears as a white to off-white crystalline powder. It may also present in a slightly yellowish tone depending on its purity. The crystals are generally fine and needle-like.

Comment on solubility

Solubility of 12-benzylidene-3-isobutyl-1,6,7-trimethyl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone

The solubility of the compound C20H28N4O4, also known as 12-benzylidene-3-isobutyl-1,6,7-trimethyl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone, is influenced by several factors. Understanding its solubility behavior is crucial for applications in various fields.

Factors Affecting Solubility

  • Polarity: The presence of polar functional groups, such as ketones and nitrogen atoms, suggests that this compound may exhibit moderate solubility in polar solvents.
  • Hydrophobic and Hydrophilic Balance: The hydrophobic benzylidene groups may limit solubility in water, whereas the isobutyl groups could enhance solubility in organic solvents.
  • Temperature: Increased temperature typically increases solubility, allowing for a better dissolution of this complex compound.

Solubility Insights

While specific solubility data for this compound may not be readily available, one can anticipate a nonpolar solvent compatibility alongside potential Moderate solubility in alcohols and other organic solvents. This is due to the balance of polar and nonpolar characteristics within the molecular structure.

In conclusion, understanding the solubility parameters of C20H28N4O4 helps in optimizing its usage in practical applications, whether in synthetic chemistry or pharmaceutical formulations. Tuning the solvent conditions based on the discussed factors can lead to effective utilization of this compound.

Interesting facts

Interesting Facts about 12-benzylidene-3-isobutyl-1,6,7-trimethyl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone

This compound, with its intricate structure and intriguing properties, is a fascinating subject of study in the field of organic chemistry. Here are some interesting insights:

  • Complexity and Versatility: The compound features a unique tetrazacyclododecane framework, which is highly versatile in synthesis. This skeleton can serve as a platform for creating new derivatives with tailored properties.
  • Biological Implications: Due to its multifunctional structure, this compound may exhibit various biological activities, making it a potential candidate for pharmacological research. For instance, compounds like this have been investigated for their chemotherapeutic properties.
  • Innovative Applications: The presence of multiple functional groups suggests potential applications in fields ranging from drug development to materials science, particularly in creating advanced polymers or catalysis.
  • Effect of Substituents: The presence of isobutyl and benzylidene groups indicates that variations in size and shape can significantly affect the compound's reactivity and interaction with biological systems.
  • Synthesis Challenges: Preparing such complex molecules often presents unique challenges, requiring advanced synthetic techniques like multistep synthesis and careful optimization of reaction conditions.
  • Research Interest: Coordination chemistry involving this type of compound can also lead to new findings, particularly concerning metal complexes and their potential applications in catalysis or as sensors.

Overall, the study of 12-benzylidene-3-isobutyl-1,6,7-trimethyl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone stands at the intersection of multiple disciplines, showcasing the beauty and complexity of chemical research. Whether you're a seasoned chemist or a student just beginning your journey, the myriad possibilities that arise from such compounds are undeniably exciting!