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Dibenzo[b,f]thiepin-10-propylamine

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Identification
Molecular formula
C15H19NO2
CAS number
1818-71-9
IUPAC name
2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)oxy]ethyl-dimethyl-ammonium;4-hydroxy-4-oxo-but-2-enoate
State
State

At room temperature, this compound remains in a solid state. It is poorly soluble in water but may dissolve in organic solvents. The substance is typically handled as a powder or crystalline solid in laboratory settings.

Melting point (Celsius)
198.00
Melting point (Kelvin)
471.15
Boiling point (Celsius)
460.00
Boiling point (Kelvin)
733.15
General information
Molecular weight
292.83g/mol
Molar mass
292.8270g/mol
Density
1.4000g/cm3
Appearence

The compound manifests as a crystalline solid, often showing a range from off-white to light beige color.

Comment on solubility

Solubility of 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)oxy]ethyl-dimethyl-ammonium;4-hydroxy-4-oxo-but-2-enoate

The solubility of the compound 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)oxy]ethyl-dimethyl-ammonium;4-hydroxy-4-oxo-but-2-enoate can be influenced by various factors. Understanding the solubility profile of this compound requires consideration of both its ionic and non-ionic characteristics. Here are some key aspects to consider:

  • Ionization: The presence of the ammonium group suggests that it may exhibit ionic properties in solution, which can enhance solubility in polar solvents.
  • Hydrophobic Interactions: The dihydrobenzo[b][1]benzothiepin structure may introduce hydrophobic characteristics, potentially decreasing solubility in water but increasing solubility in organic solvents.
  • pH Dependence: The solubility may vary with changes in pH, as protonation can affect the charge and, consequently, the solubility of ionic compounds.
  • Solvent Compatibility: The solubility could vary significantly between water and organic solvents such as ethanol or acetone, which can stabilize different parts of the molecule.

As with many complex compounds, it is essential to determine solubility empirically, as theoretical predictions may not always align with practical outcomes. Experimentation is critical in assessing the solubility and understanding how formulation conditions can further influence the dissolution behavior of this intriguing compound.

Interesting facts

Interesting Facts about 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)oxy]ethyl-dimethyl-ammonium;4-hydroxy-4-oxo-but-2-enoate

This compound is a fascinating example of a synthetic molecule that showcases the complexity and creativity possible in modern chemistry. Here are some intriguing insights about it:

  • Unique Structure: The compound features a blend of both a benzo[b][1]benzothiepin and a dimethylammonium group, which contributes to its structural complexity and functional diversity.
  • Biological Relevance: Compounds of this nature have implications in medicinal chemistry, particularly in the development of treatments for various diseases. The structural motifs suggest potential interactions with biological targets.
  • Variety of Functions: The presence of both an ether bond and a quaternary ammonium suggests that this compound could exhibit a range of functionalities, including surfactant properties or antimicrobial activity.
  • Synthetic Pathways: The synthesis of such compounds requires advanced techniques in organic chemistry, showcasing the importance of innovative strategies in creating complex molecular architectures.
  • Potential Applications: Due to its unique components, researchers are investigating its potential applications in pharmaceuticals, including as a precursor in drug synthesis or as a bioactive compound in therapeutic formulations.

In summary, 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)oxy]ethyl-dimethyl-ammonium;4-hydroxy-4-oxo-but-2-enoate is not just a compound; it is a symbol of the intersection of chemical ingenuity and biological utility. As we continue to unravel the complexities of such molecules, we can only anticipate the innovative contributions they may yield to science and medicine.