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Cocaine

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Identification
Molecular formula
C17H21NO4
CAS number
50-36-2
IUPAC name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) benzoate
State
State

At room temperature, cocaine is typically found as a crystalline solid in its hydrochloride salt form, which is more stable and water-soluble, making it suitable for insufflation or injection.

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
1.2160g/cm3
Appearence

Cocaine usually appears as a fine, white, crystalline powder. It can sometimes be off-white or have a light beige color depending on impurities. When in its freebase form, cocaine appears as a clear rock crystal with a waxy feel.

Comment on solubility

Solubility of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) benzoate

The solubility of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) benzoate can be influenced by several factors, including its structural characteristics and the nature of the solvent. Here are some key aspects to consider:

  • Polarity: The presence of both the bicyclic structure and the benzoate group affects the overall polarity of the compound. This can lead to variable solubility in different solvents.
  • Solvent Interaction: As a general rule, (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) benzoate is likely to dissolve well in organic solvents such as ethanol and chloroform, while showing lower solubility in polar solvents like water.
  • Temperature Dependency: The solubility of many organic compounds, including this one, tends to increase with temperature, making it advisable to review temperature effects during dissolution.
  • Hydrophobic Interactions: Given its structural composition, the compound may exhibit significant hydrophobic characteristics, which can hinder solubility in aqueous environments.

In summary, while the solubility of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) benzoate cannot be precisely quantified without empirical data, it is expected that this compound will demonstrate moderate to good solubility in non-polar and mildly polar solvents, whereas its solubility in highly polar solvents could be limited.

Interesting facts

Interesting Facts about (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) benzoate

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) benzoate is a fascinating chemical compound that falls within the category of bicyclic amines. Its unique structure and properties make it an intriguing subject for both research and application. Here are some notable aspects of this compound:

  • Structural Complexity: The bicyclic nature of this compound contributes to its interesting reactivity and conformational characteristics. This makes it a valuable model for studying stereochemistry and the impacts of molecular shape on biological interactions.
  • Pharmaceutical Potential: Compounds similar to (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) benzoate are often explored in the field of medicinal chemistry. Their structures can mimic natural products, which is advantageous when designing new drugs, especially in targeting neurological pathways.
  • Application in Synthesis: This compound can be utilized as an intermediate in organic synthesis, providing a versatile building block for creating a variety of complex molecules. It's a prime candidate for further functionalization due to its reactive sites.
  • Biological Interests: Research has indicated that compounds with similar frameworks can exhibit intriguing biological activities. They may influence neurotransmitter systems or have implications in pharmacology, making them a point of interest in neurochemical studies.

As a chemistry student or scientist, investigating such compounds can unveil a wealth of information about the underlying principles of reactivity, structure-activity relationships, and synthetic strategies. The possibilities for discovery are endless!

Synonyms
Benzoyltropein
Benzoyltropine
Tropacocain
16052-34-9
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) benzoate
8-Methyl-8-azabicyclo[3.2.1]oct-3-yl benzoate
19145-60-9
8-Azabicyclo[3.2.1]octan-3-ol, 8-methyl-, benzoate, exo-
1-.alpha.-H,5-.alpha.-H-Tropan-3-.beta.-ol, benzoate
EINECS 208-662-4
BRN 0084408
.psi.-Tropine benzoate
ChemDiv2_000862
Oprea1_114608
Oprea1_351398
SCHEMBL221830
CHEBI:3043
CHEBI:9755
DTXSID70871749
XQJMXPAEFMWDOZ-UHFFFAOYSA-N
HMS1371H04
AAA53726
CCG-20438
MFCD01605541
NSC241194
STK996051
AKOS003594846
AKOS022090522
NSC-241194
NS00080205
8-Methyl-8-azabicyclo[3.2.1]octan-3-yl benzoate
1.alpha.-H,5.alpha.-H-Tropan-3.beta.-ol, benzoate
8-Methyl-8-azabicyclo[3.2.1]oct-3-yl benzoate (ester), exo- #
8-Azabicyclo[3.2.1]octan-3-ol, 8-methyl-, benzoate (ester), exo-