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Tropine tropate

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Identification
Molecular formula
C17H23NO3
CAS number
1156-32-1
IUPAC name
(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenyl-propanoate
State
State
Tropine tropate is in a solid state at room temperature, making it suitable for handling and storage as a dry powder.
Melting point (Celsius)
153.00
Melting point (Kelvin)
426.15
Boiling point (Celsius)
306.00
Boiling point (Kelvin)
579.15
General information
Molecular weight
281.37g/mol
Molar mass
281.3740g/mol
Density
1.1400g/cm3
Appearence

Tropine tropate typically appears as a colorless to pale yellow crystalline solid. It is often found in a fine powdered form and can be handled in laboratory environments with standard procedures. Due to its crystalline nature, it may also form larger aggregates or pieces if not powdered.

Comment on solubility

Solubility of (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenyl-propanoate (C17H23NO3)

The solubility of this intricate compound is influenced by several factors due to its unique chemical structure. Understanding its solubility characteristics can provide critical insights into its potential applications and behavior in various environments.

Key Factors Affecting Solubility:

  • Polarity: The presence of functional groups such as the hydroxyl group can significantly enhance solubility in polar solvents.
  • Hydrogen Bonding: The ability of the hydroxyl group to engage in hydrogen bonding increases solubility in water and other polar solvents.
  • Size and Structure: The cyclic azoniabicyclo structure can restrict flexibility, possibly impacting the compactness and solvation of the molecule.

Generally, compounds like (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenyl-propanoate may exhibit the following solubility behaviors:

  • High solubility in alcohols and other organic solvents due to the hydrophobic hydrocarbon segments.
  • Limited solubility in water despite the presence of hydrophilic functional groups.

In conclusion, the solubility of this compound is a balance between its hydrophilic and hydrophobic characteristics, leading to complex interactions in various solvents. Further experimental studies would be needed to quantify its solubility in specific solvents and under varying conditions.

Interesting facts

Interesting Facts about (8,8-Dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenyl-propanoate

This compound, known for its complex structure and unique properties, is notably intriguing within the realm of organic chemistry. Here are some captivating facts:

  • Structural Complexity: The bicyclic structure of this compound—characterized by a unique fusion of rings—offers a diverse range of chemical reactivity. Such entities are often explored for their potential application in drug design due to their ability to mimic biologically active compounds.
  • Pose as a Quaternary Ammonium Salt: This compound features a nitrogen atom that carries a positive charge, classifying it as a quaternary ammonium compound. These types of compounds are renowned for their role in membrane permeability and biological activity, making them significant in medicinal chemistry.
  • Applications in Synthesis: The presence of hydroxy and ester functional groups enhances the reactivity of this molecule, allowing for diverse synthetic pathways. Such properties can be leveraged in the creation of complex organic molecules, showcasing the versatility of compounds like this in synthetic organic chemistry.
  • Biological Relevance: The phenyl group linked via a hydroxy-2-propanoate moiety indicates potential interactions with biological systems, particularly in pharmacology. This highlights the compound's importance in developing novel therapeutic agents.
  • Research Opportunities: Due to its fascinating structural features, ongoing research may reveal additional functionalities and applications, particularly in fields such as material science and bioinformatics.

In summary, (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenyl-propanoate is more than just a compound; it embodies the complexity and versatility inherent in organic substances. As chemists continue to unravel its mysteries, it holds promise for significant advancements in various chemical fields.

Synonyms
3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane
6912-76-1
Prestwick0_000900
Prestwick1_000900
Prestwick2_000900
ChemDiv3_006000
Lopac0_000030
Lopac0_000052
CHEMBL63452
SCHEMBL824874
SPBio_002929
CHEMBL1179176
PIPAJLPNWZMYQA-UHFFFAOYSA-
DTXSID50858977
HMS1490A16
BDBM50015728
STK108600
AKOS001683523
AKOS022008438
CCG-204126
IDI1_023910
NCGC00015080-04
NCGC00015080-05
NCGC00015080-06
NCGC00015080-07
NCGC00015080-11
NCGC00015080-13
NCGC00015080-14
NCGC00023944-03
NCGC00023944-04
NCGC00162048-01
NCGC00162048-02
NCI60_005437
SBI-0050019.P003
NS00083945
AB00890912-05
AB00890912-08
AB00890912_09
Q1176323
8,8-dimethyl-85-azabicyclo[3.2.1]oct-3-yl tropate
BRD-A52460047-001-01-3
(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate bro
3-(3-Hydroxy-1-oxo-2-phenylpropoxy)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane
3-[(3-HYDROXY-2-PHENYLPROPANOYL)OXY]-8,8-DIMETHYL-8-AZABICYCLO[3.2.1]OCTAN-8-IUM
3-(3-Hydroxy-2-phenyl-propionyloxy)-8,8-dimethyl-8-azonia-bicyclo[3.2.1]octane; bromide(atropine methyl bromide)
InChI=1/C18H26NO3/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13/h3-7,14-17,20H,8-12H2,1-2H3/q+1