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Piperidinium alnespirone chloride

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Identification
Molecular formula
C14H21ClN2OS
CAS number
41340-25-0
IUPAC name
2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3-benzoxazole;chloride
State
State

At room temperature, this compound is typically in a solid state. It is stable unless exposed to excessive humidity or heat, under which it might degrade or react with other substances.

Melting point (Celsius)
192.00
Melting point (Kelvin)
465.15
Boiling point (Celsius)
320.00
Boiling point (Kelvin)
593.15
General information
Molecular weight
360.91g/mol
Molar mass
360.9100g/mol
Density
1.2030g/cm3
Appearence

This compound appears as a white crystalline powder. It is known for its distinct texture and the ability to form a homogeneous mixture when dissolved in water.

Comment on solubility

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

The solubility of 2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3-benzoxazole;chloride can be influenced by several factors due to its complex structure. As a salt, the chloride component often enhances solubility in polar solvents such as water. Here are some key points to consider:

  • Polar Nature: The presence of the piperidinium group contributes to the overall polarity of the compound, which facilitates solubility in aqueous solutions.
  • Hydrogen Bonding: The benzoxazole moiety may engage in hydrogen bonding, further affecting the solubility characteristics. This can lead to increased solubility in solvents that can donate or accept hydrogen bonds.
  • Temperature Dependence: Solubility may vary with temperature, often increasing at higher temperatures due to increased molecular motion.
  • Concentration Effects: At higher concentrations, precipitation may occur if the solubility limit is surpassed; thus, saturation points are critical to understand.

In conclusion, the solubility of this compound is primarily favored in polar solvents, making it crucial for applications where ionic dissolution is necessary. As with many complex organic salts, it is important to conduct specific solubility tests to fully understand the behavior of this compound under varying conditions.

Interesting facts

Interesting Facts about 2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3-benzoxazole Chloride

This compound is a fascinating member of the benzoxazole family, which are known for their diverse biological activities. Here are some engaging facts about 2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3-benzoxazole chloride:

  • Structure and Functionality: The incorporation of the piperidin-1-ium moiety introduces a positively charged nitrogen atom, which may enhance interactions with biological targets, potentially leading to interesting pharmacological properties.
  • Pharmacological Potential: Compounds containing benzoxazole derivatives are often investigated for their medicinal properties, including antimicrobial, anti-inflammatory, and anticancer activities. This specific compound's unique structure could lead to novel therapeutic applications.
  • Synthesis and Applications: The synthesis of such compounds often involves strategic reactions, allowing chemists to explore various synthetic pathways. The presence of a thiol (sulfanyl) functional group can also play a crucial role in mediating biological responses and enhancing solubility in biological systems.
  • Role in Material Science: Beyond biological applications, such compounds can serve as intermediates in the production of advanced materials. Their unique electronic properties may make them suitable for use in optoelectronic devices.
  • Research Insights: Continuous research into the structure-activity relationship (SAR) of benzoxazole derivatives, including this compound, helps chemists understand how modifications in structure can significantly influence their biological activity.

As a compound that bridges organic chemistry and medicinal applications, 2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3-benzoxazole chloride exemplifies the intricate relationship between molecular structure and function. It is a testament to how the nuances of chemical design can lead to exciting and potentially life-saving discoveries in the field of drug development.

Synonyms
2-((2-Piperidinoethyl)thio)benzoxazole hydrochloride
3920-08-9
BENZOXAZOLE, 2-((2-PIPERIDINOETHYL)THIO)-, HYDROCHLORIDE