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Tiotropium bromide

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Identification
Molecular formula
C19H22NO4S
CAS number
186691-13-4
IUPAC name
[3-hydroxy-3-(2-thienyl)hex-4-enyl]-trimethyl-ammonium
State
State

At room temperature, Tiotropium bromide exists in the solid state.

Melting point (Celsius)
225.70
Melting point (Kelvin)
498.85
Boiling point (Celsius)
333.70
Boiling point (Kelvin)
606.85
General information
Molecular weight
392.26g/mol
Molar mass
392.2570g/mol
Density
1.4230g/cm3
Appearence

The compound generally appears as a white to off-white powder. It is typically very fine and crystalline in nature.

Comment on solubility

Solubility of [3-hydroxy-3-(2-thienyl)hex-4-enyl]-trimethyl-ammonium

The solubility of [3-hydroxy-3-(2-thienyl)hex-4-enyl]-trimethyl-ammonium is influenced by its chemical structure, which features a quaternary ammonium group and a thienyl moiety. Here are some key points regarding its solubility:

  • Polarity: Due to the presence of the trimethylammonium group, the compound is generally polar, which enhances its ability to dissolve in polar solvents such as water.
  • Hydrogen Bonding: The hydroxyl group (-OH) facilitates hydrogen bonding with water molecules, further increasing solubility.
  • Solvent Interaction: Its solubility may vary significantly in organic solvents; for example, it might be more soluble in ethanol and acetone due to the interactions that can occur.
  • Temperature Dependence: The solubility can also be temperature-dependent, with higher temperatures potentially increasing solubility as molecular motion enhances interactions with solvent molecules.

In summary, the solubility of [3-hydroxy-3-(2-thienyl)hex-4-enyl]-trimethyl-ammonium is an intricate characteristic shaped by its structure and environmental factors. Understanding these solubility properties can be crucial for applications in fields such as pharmacology and materials science.

Interesting facts

Interesting Facts about [3-Hydroxy-3-(2-thienyl)hex-4-enyl]-trimethyl-ammonium

[3-Hydroxy-3-(2-thienyl)hex-4-enyl]-trimethyl-ammonium is a fascinating compound that has garnered interest in both organic chemistry and medicinal chemistry circles due to its unique structure and potential applications.

Key Features

  • Thienyl Group: The presence of the 2-thienyl moiety introduces sulfur into the structure, enhancing the compound's reactivity and properties.
  • Quaternary Ammonium Ion: As a quaternary ammonium compound, it features a positively charged nitrogen atom that plays a significant role in interactions with biological systems.
  • Versatile Applications: Compounds featuring such nitrogen-sulfur motifs have shown potential in various fields, including antimicrobial and anticancer activities.
  • Stereochemistry: The configuration around the tertiary carbon adds stereochemical diversity, influencing the compound's reactivity and interaction with enzymes or receptors.

Research and Potential

This compound exemplifies how the integration of different functional groups can lead to novel properties. Scientists have suggested that compounds of this nature may offer:

  • Enhanced bioavailability due to their ability to interact effectively with biomolecules.
  • Potential in drug development, particularly in targeting specific pathways within microbial or cancerous cells.
  • A versatile platform for synthetic modifications, allowing for the development of analogs tailored for specific therapeutic uses.

In summary, [3-Hydroxy-3-(2-thienyl)hex-4-enyl]-trimethyl-ammonium showcases the ingenuity of modern chemistry, illustrating the significance of molecular design in advancing fields like pharmaceuticals and materials science. Its study could unveil promising new avenues in drug discovery and therapeutic interventions.