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Tizanidine

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Identification
Molecular formula
C9H18ClN5O3S
CAS number
64461-82-1
IUPAC name
N-benzyl-N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)aniline;methanesulfonate
State
State

At room temperature, Tizanidine is generally encountered in its salt form, Tizanidine hydrochloride, and is solid.

Melting point (Celsius)
290.00
Melting point (Kelvin)
563.15
Boiling point (Celsius)
570.00
Boiling point (Kelvin)
843.15
General information
Molecular weight
290.16g/mol
Molar mass
290.1620g/mol
Density
1.3400g/cm3
Appearence

Tizanidine hydrochloride is a white to off-white crystalline powder. It is soluble in water and methanol, slightly soluble in alcohol, and practically insoluble in dichloromethane.

Comment on solubility

Solubility of N-benzyl-N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)aniline; methanesulfonate

The solubility of N-benzyl-N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)aniline; methanesulfonate can be attributed to its unique chemical structure, which features an imidazolium ionic group and a methanesulfonate counterion. Generally, this type of compound has some distinct solubility characteristics:

  • Water Solubility: Compounds containing imidazolium groups tend to be soluble in water due to their ionic nature. The presence of the methanesulfonate moiety can enhance this solubility further by facilitating hydrogen bonding with water molecules.
  • Solvents: In addition to water, this compound is likely soluble in polar organic solvents such as methanol, ethanol, and possibly some dimethyl sulfoxide (DMSO) solutions, owing to similar polarity characteristics.
  • Temperature Dependence: Solubility might increase with temperature, which is a common behavior observed in many organic salts. Thus, higher temperatures may lead to better dissolution rates.
  • Influence of pH: The solubility may also be pH-dependent. Variations in pH could impact the protonation state of the imidazolium and, consequently, its overall solubility.

In conclusion, while the precise solubility characteristics of this compound should ideally be determined through experimental measurements, the structural features suggest a propensity for significant solubility in polar solvents. Various factors, including temperature and pH, play critical roles in its solubility behavior.

Interesting facts

Interesting Facts About N-benzyl-N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)aniline;methanesulfonate

N-benzyl-N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)aniline;methanesulfonate is a fascinating compound with several unique features that make it a subject of interest in both academic research and industrial applications. Here are some noteworthy aspects:

  • Dual Functionalities: This compound incorporates both an imidazolium moiety and an aniline structure, giving it the potential for versatile behavior in various chemical reactions.
  • Bioactivity Potential: The imidazolium ion is known for its reactivity and ability to participate in many biological processes. Compounds with this structure may exhibit significant biological activity, making them interesting for medicinal chemistry.
  • Solvent Properties: The presence of the methanesulfonate group enhances the solubility and stabilization of the compound in polar solvents, which can be advantageous in organic synthesis.
  • Applications in Catalysis: Due to its unique structural features, this compound is being explored for its potential use in catalytic processes, particularly in organic transformations that require strong electrophilic species.
  • Research Significance: Emerging studies have suggested that compounds like this may have significance in material science, especially in developing ionic liquids and other materials with specific electrochemical properties.

In summary, N-benzyl-N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)aniline;methanesulfonate serves not only as a structure of theoretical interest but also as a potential player in practical applications across several areas of chemical research. There is much left to explore regarding its reactivity patterns and applications!