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Clopethin

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Identification
Molecular formula
C19H24ClNO3S
CAS number
27582-77-6
IUPAC name
3-(11-hydroxy-5,5-dioxo-6,11-dihydrobenzo[c][1]benzothiepin-6-yl)propyl-dimethyl-ammonium;chloride
State
State

At room temperature, it exists as a solid in its crystalline chloride form. Commonly, it is stored in a dry environment to prevent moisture absorption.

Melting point (Celsius)
168.00
Melting point (Kelvin)
441.15
Boiling point (Celsius)
550.00
Boiling point (Kelvin)
823.15
General information
Molecular weight
421.99g/mol
Molar mass
421.9860g/mol
Density
1.1500g/cm3
Appearence

Clopethin typically appears as a crystalline solid and is usually encountered in its chloride salt form. The crystals are generally white to off-white in color.

Comment on solubility

Solubility of 3-(11-hydroxy-5,5-dioxo-6,11-dihydrobenzo[c][1]benzothiepin-6-yl)propyl-dimethyl-ammonium;chloride

The solubility of the compound 3-(11-hydroxy-5,5-dioxo-6,11-dihydrobenzo[c][1]benzothiepin-6-yl)propyl-dimethyl-ammonium;chloride can be quite interesting to assess due to its complex structure. Here are some key points:

  • Polar Nature: The presence of a quaternary ammonium group in this compound contributes to its polar nature, which generally enhances the solubility in polar solvents such as water.
  • Chloride Ion: The chloride component can also increase solubility in aqueous environments by promoting ionic interactions.
  • Hydroxyl Groups: The hydroxyl (–OH) group attached to the structure may further aid in solubility by facilitating hydrogen bonding with water molecules.

However, the overall solubility will also depend on factors such as:

  • Temperature: Increased temperatures typically lead to higher solubility for many compounds.
  • pH Level: The pH of the surrounding environment can influence the ionization state, thereby affecting solubility.

In summary, while the solubility of this quaternary ammonium compound is likely to be favorable in polar solvents, it is essential to consider environmental factors that may affect its solubility properties. In the words of Richard Feynman, "What I cannot create, I do not understand," pointing to the importance of comprehensively studying the solubility and interactions of chemical compounds to truly grasp their behavior in various mediums.

Interesting facts

Interesting Facts about 3-(11-hydroxy-5,5-dioxo-6,11-dihydrobenzo[c][1]benzothiepin-6-yl)propyl-dimethyl-ammonium;chloride

This intriguing compound is a member of the class of quaternary ammonium compounds, which are widely recognized for their diverse applications in various fields. Here are some captivating insights about this compound:

  • Pharmaceutical Relevance: The unique structure of this compound, particularly its benzo[c][1]benzothiepin component, lays the groundwork for its potential use in medicinal chemistry. Compounds with similar scaffolds are often investigated for their therapeutic properties, including antipsychotic and antidepressant effects.
  • Quaternary Ammonium Compounds: As a quaternary ammonium salt, this compound may exhibit surfactant properties, which enable its use in various industrial applications, including as a disinfectant or antiseptic agent.
  • Structural Complexity: The compound features a complex framework that includes multiple functional groups like hydroxyl and dione that can dramatically influence its reactivity and biological interactions. This complexity provides challenges but also opportunities for significant scientific inquiry.
  • Research Opportunities: Due to its intricate structure, there is a wealth of possibilities for synthesis, characterization, and studies regarding its interactions with biological systems, such as cellular permeability and binding affinities.
  • Analytical Methods: Researchers often employ advanced techniques such as NMR spectroscopy, mass spectrometry, and X-ray crystallography to study compounds like this, providing insights into their properties and behaviors at the molecular level.

In conclusion, the compound 3-(11-hydroxy-5,5-dioxo-6,11-dihydrobenzo[c][1]benzothiepin-6-yl)propyl-dimethyl-ammonium;chloride is not only chemically intriguing but also presents a rich landscape for scientific discovery, making it a noteworthy topic of study in the realm of chemistry.

Synonyms
Dibenzo(b,e)thiepin-11-ol, 6,11-dihydro-6-(3-(dimethylamino)propyl)-, 5,5-dioxide, hydrochloride
6,11-Dihydro-6-(3-(dimethylamino)propyl)dibenzo(b,e)thiepin-11-ol 5,5-dioxide hydrochloride
6-(3-Dimethylaminopropyl)-6,11-dihydrodibenzo(b,e)thiepin-11-ol 5,5-dioxide hydrochloride
23772-20-5
RefChem:337113