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Benztropine Mesylate

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Identification
Molecular formula
C21H26ClNO2
CAS number
132-17-2
IUPAC name
ethyl 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-phenyl-piperidin-1-ium-4-carboxylate;chloride
State
State

At room temperature, this compound is generally in the form of a solid to crystalline powder.

Melting point (Celsius)
116.50
Melting point (Kelvin)
389.65
Boiling point (Celsius)
265.00
Boiling point (Kelvin)
538.15
General information
Molecular weight
403.03g/mol
Molar mass
403.0320g/mol
Density
1.1640g/cm3
Appearence

Typically appears as a white to off-white powder or crystalline solid, and is usually odorless. It is a hygroscopic substance.

Comment on solubility

Solubility of Ethyl 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-phenyl-piperidin-1-ium-4-carboxylate; Chloride

The solubility of a compound such as ethyl 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-phenyl-piperidin-1-ium-4-carboxylate; chloride can be influenced by various factors. This compound, due to its complex structure, presents interesting solubility characteristics:

  • Polarity: The presence of both ionic (chloride) and nonionic (ethyl, propyl, and phenyl groups) sections in the molecule suggests that its solubility might vary significantly in different solvents.
  • Solvent Interaction: It is expected to be more soluble in polar solvents such as water or methanol due to its ionic nature, while its nonpolar sections may lead to some solubility in organic solvents like dichloromethane or chloroform.
  • Temperature Dependency: Like many ionic compounds, the solubility of this chloride salt may increase with temperature, so studies at varying temperatures could provide insight into its solubility profile.
  • pH Influence: The solubility can also be affected by the pH of the solution, as the carboxylate group in the structure may ionize to form a more soluble species at a higher pH.

In conclusion, understanding the solubility of this compound not only helps in predicting its behavior in various environments but also serves as a critical factor in its potential applications. As stated in many solubility studies, "the solubility of ionic compounds often tends to be a complex interplay of structural, environmental, and chemical properties."

Interesting facts

Interesting Facts about Ethyl 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-phenyl-piperidin-1-ium-4-carboxylate; Chloride

This compound represents a fascinating intersection of organic chemistry and medicinal science. As a part of the larger family of piperidine derivatives, it has garnered interest primarily due to its potential pharmacological properties. Here are some noteworthy points:

  • Piperidine Framework: The compound features a piperidine ring, a common structural motif in many drugs, known for its ability to act as a versatile backbone in designing new therapeutic agents.
  • Unique Structure: The presence of the 5,6-dihydrobenzo[b][1]benzazepin moiety is particularly intriguing, as this multi-fused aromatic system can contribute significantly to the compound's biological activity, possibly affecting how it interacts with biological targets.
  • Ionization: Being a quaternary ammonium compound (as indicated by the ‘-ium’ in its name), this compound carries a positive charge, which can influence its solubility and interaction with cellular membranes.
  • Potential Applications: Research into similar structures has suggested a range of applications, from anti-inflammatory effects to neuroprotective properties, hinting that this compound may also play a role in drug discovery.
  • Synthesis Challenges: The complex molecular architecture necessitates sophisticated synthetic techniques, highlighting the importance of ingenuity in modern organic synthesis.

As with many synthetic compounds, further research is essential to unravel its full potential. Understanding the mechanisms by which this compound operates could pave the way for its application in various therapeutic contexts. In the words of a chemist, "Every compound tells a story, and just like novels, some contain layers waiting to be deciphered."

This compound's intriguing properties not only enhance our understanding of chemical interactions but also inspire the next generation of chemists to explore the vast realm of possibility within organic synthesis.

Synonyms
14187-10-1
Isonipecotic acid, 1-(3-(10,11-dihydro-5-dibenz(b,f)azepinyl)propyl)-4-phenyl-, ethyl ester, hydrochloride