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benzoxathiole

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Identification
Molecular formula
C15H19ClN2O2S
CAS number
136-78-7
IUPAC name
5-methoxy-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3-benzoxazole;chloride
State
State

The compound is generally in a solid state at room temperature. As it is a chloride salt, it typically exhibits ionic properties.

Melting point (Celsius)
214.00
Melting point (Kelvin)
487.15
Boiling point (Celsius)
338.00
Boiling point (Kelvin)
611.15
General information
Molecular weight
343.89g/mol
Molar mass
343.8860g/mol
Density
1.2790g/cm3
Appearence

This compound typically appears as a crystalline solid. The chloride form can sometimes appear slightly off-white due to the presence of chloride ions.

Comment on solubility

Solubility of 5-methoxy-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3-benzoxazole;chloride

The solubility of 5-methoxy-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3-benzoxazole;chloride can be influenced by several factors due to its unique molecular structure. This compound is a quaternary ammonium compound, and its solubility characteristics may include:

  • Solvent type: As an ionic compound, it tends to be more soluble in polar solvents, especially water, due to ion-dipole interactions.
  • Temperature: Higher temperatures can increase solubility as molecular interactions are overcome more easily.
  • pH levels: The presence of chloride ions and the piperidinium group may influence solubility; variations in pH can affect the ionization state, thereby impacting solubility.

In general, quaternary ammonium compounds like this one are known for their significant solubility in various solvents. As reported, many of these compounds can dissolve readily in solutions:

"Quaternary ammonium compounds often demonstrate high solubility in water, which makes them suitable for a range of applications."

Thus, it is reasonable to anticipate that 5-methoxy-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3-benzoxazole;chloride exhibits considerable solubility in polar solvents, allowing for versatile use in chemical formulations.

Interesting facts

5-Methoxy-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3-benzoxazole;chloride

The compound 5-methoxy-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3-benzoxazole; chloride is a fascinating molecule that combines multiple functional groups, giving it unique properties and potential applications in various fields. Here are some intriguing aspects of this compound:

  • Diverse Structure: The incorporation of a benzoxazole ring along with a piperidin-1-ium moiety creates a complex structure that showcases the compound's potential in medicinal chemistry.
  • Pharmacological Interest: Compounds containing benzoxazole derivatives have been noted for their biological activities, including antimicrobial, antitumor, and anti-inflammatory properties.
  • Ion Exchange: As a chloride salt, it exhibits interesting ionic interactions that can influence solubility and biological activity, making it a subject of study for ionic transport mechanisms.
  • Synthesis Pathways: The synthesis of this compound may involve multi-step organic reactions, which can serve as an excellent learning opportunity for students exploring synthetic organic chemistry.
  • Targeted Drug Design: The presence of both heteroatoms and aliphatic chains hints at its potential role in drug design, particularly for targeting specific biological pathways.
  • Research Potential: Researchers are continuously exploring the pharmacodynamics and pharmacokinetics of such compounds, paving the way for future developments in therapeutic agents.

In summary, 5-methoxy-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3-benzoxazole; chloride represents a captivating intersection of chemistry and pharmacology, offering numerous avenues for exploration and discovery. As scientists continue to investigate its properties, this compound could hold the key to novel treatments in the realm of medicine.

Synonyms
5-Methoxy-2-((2-piperidinoethyl)thio)benzoxazole hydrochloride
14627-01-1
BENZOXAZOLE, 5-METHOXY-2-((2-PIPERIDINOETHYL)THIO)-, MONOHYDROCHLORIDE