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Butylscopolamine

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Identification
Molecular formula
C21H30NO4
CAS number
7182-53-8
IUPAC name
[(1S,2S,4R,5S)-9-butyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 3-hydroxy-2-phenyl-propanoate
State
State

At room temperature, butylscopolamine is generally present as a solid.

Melting point (Celsius)
144.00
Melting point (Kelvin)
417.15
Boiling point (Celsius)
195.00
Boiling point (Kelvin)
468.15
General information
Molecular weight
303.38g/mol
Molar mass
303.3780g/mol
Density
1.2200g/cm3
Appearence

Butylscopolamine appears as a white to off-white crystalline powder.

Comment on solubility

Solubility Characteristics

The solubility of the compound [(1S,2S,4R,5S)-9-butyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 3-hydroxy-2-phenyl-propanoate is affected by various factors, making it an intriguing subject for study.

Key Factors Influencing Solubility:

  • Molecular Structure: The complex structure of this compound, which includes a tricyclic framework and functional groups, can influence its ability to interact with solvents.
  • Polarity: The presence of polar functional groups, such as the hydroxy and carboxylate moieties, can enhance interactions with polar solvents, potentially increasing solubility in water.
  • Hydrophobic Interactions: Conversely, the butyl and phenyl groups may contribute to hydrophobic characteristics, which can limit solubility in polar solvents.

Overall, the solubility of this compound is likely to be:

  1. Moderate in polar solvents such as water due to its hydrophilic groups.
  2. Higher in organic solvents like ethanol or DMSO, where the hydrophobic and hydrophilic regions can interact more favorably.

In conclusion, while predicting solubility can be complex, understanding the interplay between these various factors can provide valuable insights into the behavior of this intriguing chemical compound.

Interesting facts

Interesting Facts about [(1S,2S,4R,5S)-9-butyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 3-hydroxy-2-phenyl-propanoate

This unique compound showcases the fascinating world of complex molecular structures and their potential applications in various fields. Below are some key points that highlight its significance:

  • Complex Architecture: The backbone of this compound features a tricyclic structure that offers a rich area for chemical exploration. The fusion of rings influences its chemical reactivity and potential biological activity.
  • Biological Relevance: Compounds with similar structures may exhibit interesting pharmacological properties. For instance, the presence of a quaternary ammonium group contributes to an array of biological interactions.
  • Potential Applications:
    • As potential pharmaceuticals targeting specific receptors or pathways in living organisms.
    • In agrochemicals where such complex compounds enhance selectivity and efficacy.
  • Synthetic Challenges: The synthesis of such compounds often necessitates advanced techniques in organic chemistry, allowing chemists to explore innovative synthetic pathways and methodologies.
  • Analogues Exploration: Investigating derivatives or analogues of this compound could unveil new properties and functionalities, making it a noteworthy candidate for further research.

Overall, this compound exemplifies the intricacies of modern chemistry, where structure impacts not just functionality but opens doors to potential novel applications. As a scientist or chemistry enthusiast, delving into the characteristics and capabilities of such compounds deepens our understanding of chemical principles and their real-world implications.

Synonyms
Scopolamine-N-butyl
CHEBI:182431
NS00009194
[(1S,2S,4R,5S)-9-butyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 3-hydroxy-2-phenylpropanoate