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Cocaine

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Identification
Molecular formula
C17H21NO4
CAS number
50-36-2
IUPAC name
[(3S)-6-ethoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-cyclohexyl-2-phenyl-acetate
State
State

At room temperature, cocaine is typically a solid in the form of a powder or crystalline substance.

Melting point (Celsius)
98.00
Melting point (Kelvin)
371.15
Boiling point (Celsius)
187.00
Boiling point (Kelvin)
460.15
General information
Molecular weight
303.35g/mol
Molar mass
303.3530g/mol
Density
1.2200g/cm3
Appearence

Cocaine typically appears as a white, crystalline powder or as a white, pearly granular powder. It can also be found in the form of small crystalline rocks colloquially known as "crack cocaine." In its purest form, cocaine is odorless and has a bitter taste.

Comment on solubility

Solubility Overview

The compound [(3S)-6-ethoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-cyclohexyl-2-phenyl-acetate presents a fascinating case in terms of solubility characteristics. Understanding the solubility of this compound provides insights into its behavior in various environments.

Solubility Characteristics

Several factors influence the solubility of this compound:

  • Polarity: The presence of both hydrophobic and hydrophilic elements can suggest a degree of moderate solubility in polar solvents, such as water.
  • Functional Groups: The ethoxy group introduces a level of polarity, while the bulky cyclohexyl and phenyl groups may enhance solubility in organic solvents.
  • Temperature: Like many organic compounds, solubility may increase with temperature, making hot solvents particularly effective in dissolving the compound.

As a general observation, this compound is likely to exhibit a greater solubility in non-polar organic solvents due to its various hydrocarbon-based substituents. It is important to note that while specific solubility data is limited, the combination of structural components can enhance interactions with non-polar solvents.

Conclusion

In summary, the solubility of [(3S)-6-ethoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-cyclohexyl-2-phenyl-acetate is influenced by its complex structure, which should be carefully considered in practical applications such as drug formulation or chemical synthesis. Future studies could provide more detailed insights into its solubility profile.

Interesting facts

Interesting Facts about [(3S)-6-ethoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-cyclohexyl-2-phenyl-acetate

This compound belongs to a fascinating class of organic molecules known for their unique bicyclic structure. Its intricate design allows for a variety of biological interactions, making it of great interest in the realm of medicinal chemistry.

Key Features:

  • Bicyclic Structure: The bicyclo[3.2.1]octane framework is notable for its strained configuration, leading to interesting chemical properties and reactivity.
  • Stereochemistry: The specific stereochemistry at the 3rd position plays a crucial role in the compound's ability to interact with biological receptors, which is vital for its potential pharmaceutical applications.
  • Ethoxy and Cyclohexyl Groups: The introduction of ethoxy and cyclohexyl groups contributes to the hydrophobic character of the molecule, enhancing its lipophilicity, which is often beneficial for drug absorption and efficacy.

One of the most significant aspects of this compound is its potential use as a drug candidate. Compounds with similar structures have been investigated for their analgesic and anti-inflammatory properties. As highlighted by scientists in the field, "Understanding the structure-activity relationship is essential for the development of effective therapeutics." The integration of the azabicyclic core with functional groups like cyclohexyl and phenyl-acetate can lead to compounds with enhanced interaction profiles.

Research Implications:

Ongoing studies are examining how modifications to this compound can lead to improved selectivity and activity against specific biological targets. As such, this compound stands at the forefront of research in drug design and discovery, where every nuance in its structure could lead to groundbreaking advancements in pharmacotherapy.

The exploration of this compound not only enriches our understanding of organic chemistry but could also pave the way for innovative treatments in the future. As research continues, it is essential to remain excited about the possibilities that such compounds hold for health and medicine.