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Tropine methylphenidate

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Identification
Molecular formula
C13H21NO3
CAS number
113-45-1
IUPAC name
[(4R)-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methyl-butanoate
State
State

At room temperature, the compound is in a solid state, usually found as a crystalline powder.

Melting point (Celsius)
94.00
Melting point (Kelvin)
367.15
Boiling point (Celsius)
235.00
Boiling point (Kelvin)
508.15
General information
Molecular weight
233.29g/mol
Molar mass
233.2860g/mol
Density
1.4500g/cm3
Appearence

The compound appears as a white, crystalline solid at room temperature.

Comment on solubility

Solubility of [(4R)-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methyl-butanoate

The solubility of this complex compound can be influenced by several factors, mainly due to its intricate structure. Here are some key points regarding its solubility:

  • Polar Nature: The presence of multiple hydroxyl (-OH) groups generally enhances solubility in polar solvents such as water.
  • Non-Polar Components: Despite the polar characteristics, **hydrophobic** sections may limit solubility in water, indicating potential solubility in organic solvents like ethanol or methanol.
  • pH Dependency: The solubility can vary with pH; ionizable groups may become charged in certain pH conditions, affecting their solubility profile.
  • Temperature Effects: Increased temperature typically enhances solubility for solid compounds, although this can depend on the specific interactions within the compound.
  • Concentration Actions: As concentration increases, the solubility limit may be reached, potentially leading to precipitation, especially in saturated solutions.

In conclusion, while the compound's polar functionalities suggest it may readily dissolve in aqueous environments, the balance between polar and non-polar characteristics indicates that experimentation will be essential to determine the precise solubility behavior across various conditions. Understanding these factors can facilitate more effective applications of this chemical compound in various fields.

Interesting facts

Interesting Facts about [(4R)-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methyl-butanoate

This intriguing compound, which falls under the category of pyrrolizidine derivatives, boasts a complex and multifaceted structure that is of great interest to chemists and researchers alike. Its unique characteristics make it a fascinating subject for study in the field of organic chemistry.

Key Features

  • Chemical Behavior: The presence of a quaternary nitrogen atom contributes to the compound's positive charge, influencing its reactivity and interactions with other molecules.
  • Synthetic Applications: It can serve as a precursor in synthetic pathways, particularly in the development of pharmaceuticals or agrochemicals.
  • Biological Significance: Compounds with similar structures are often investigated for their potential medicinal properties, including anti-cancer and anti-inflammatory effects.
  • Stereochemistry: The compound features chiral centers, making it an interesting case for stereochemical studies and enantiomeric separations.

Furthermore, the incorporation of hydroxyl groups enhances its potential for forming hydrogen bonds, impacting both solubility and bioavailability. The reactivity profile, structural complexity, and potential for diverse applications underline the importance of this compound in ongoing research.

As stated by renowned chemist, "The true beauty of a compound lies not just in its formula, but in the vast potential it holds for innovation in science." This sentiment rings especially true for [(4R)-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methyl-butanoate, inviting further exploration within organic and medicinal chemistry.

Synonyms
Supinine N-oxide
24351-90-4
Supinine, N-oxide
Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester, N-oxide, (7aS-(7(2R*,3S*),7aR*))-
DTXSID20947206
(4-Oxo-3,4,5,6,7,7a-hexahydro-4lambda~5~-pyrrolizin-1-yl)methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate