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Daphnetoxin

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Identification
Molecular formula
C20H30O7
CAS number
17150-89-7
IUPAC name
[(7S)-7-hydroxy-6,7-dihydro-5H-pyrrolizin-1-yl]methyl 2-hydroxy-2-isopropyl-3-methoxy-butanoate
State
State

At room temperature, Daphnetoxin is a solid. It is commonly handled in powdered or crystalline form for research and study.

Melting point (Celsius)
238.00
Melting point (Kelvin)
511.15
Boiling point (Celsius)
390.00
Boiling point (Kelvin)
663.15
General information
Molecular weight
354.43g/mol
Molar mass
354.4260g/mol
Density
1.1500g/cm3
Appearence

Daphnetoxin typically appears as a crystalline solid. Depending on its state of purification, it might vary slightly in exact coloration but is usually off-white to pale yellow.

Comment on solubility

Solubility of [(7S)-7-hydroxy-6,7-dihydro-5H-pyrrolizin-1-yl]methyl 2-hydroxy-2-isopropyl-3-methoxy-butanoate

The solubility of [(7S)-7-hydroxy-6,7-dihydro-5H-pyrrolizin-1-yl]methyl 2-hydroxy-2-isopropyl-3-methoxy-butanoate can be influenced by various factors, including its chemical structure and environmental conditions. Here are some key points to consider:

  • Polarity: The presence of multiple hydroxyl and methoxy groups suggests that the compound possesses a certain degree of polarity, which may enhance solubility in polar solvents such as water.
  • Hydrophobicity: The isopropyl and pyrrolizin moieties may contribute to hydrophobic interactions, potentially limiting solubility in polar solvents.
  • Solvent Choice: It is likely to be more soluble in organic solvents (e.g., ethanol, methanol) than in water, making solvent selection crucial for applications and formulations.
  • Temperature Influence: As with many organic compounds, solubility might increase with temperature, allowing better dissolution in solutions at elevated levels.

In conclusion, the solubility of this compound is expected to be:

  • Moderate in polar solvents
  • Higher in organic solvents such as ethanol

"Understanding solubility is essential in predicting the behavior of compounds in both natural and industrial processes."

Interesting facts

Interesting Facts About [(7S)-7-hydroxy-6,7-dihydro-5H-pyrrolizin-1-yl]methyl 2-hydroxy-2-isopropyl-3-methoxy-butanoate

This compound belongs to a class of chemicals with intriguing properties and a variety of potential applications. Here are some notable points:

  • Complex Structure: The compound features a unique connection of a pyrrolizinone ring, which contributes to its biological activity. The complexity of its structure offers chemists fascinating challenges in synthesis and modification.
  • Potential Medical Applications: Compounds like this one are often studied for their potential in pharmaceuticals, particularly due to their ability to interact with protein targets in biological systems. Its unique functional groups may present significant opportunities in medicinal chemistry.
  • Chirality: The presence of chiral centers (notably in the 7-hydroxy group) means that this compound can exist in different enantiomeric forms. Such chirality can have profound effects on the compound's bioactivity, making stereochemistry a critical aspect of research in this area.
  • Natural Derivation: Many compounds related to pyrrolizine derivatives are found naturally in plants. This connection can lead to the exploration of natural products for inspiration in drug development.
  • Research Focus: Ongoing studies often explore how modifications to its structure can enhance efficacy or selectivity in targeting specific diseases. Research into structure-activity relationships (SAR) is fundamental for understanding its potential uses.

As researchers delve deeper into the analysis of [(7S)-7-hydroxy-6,7-dihydro-5H-pyrrolizin-1-yl]methyl 2-hydroxy-2-isopropyl-3-methoxy-butanoate, they uncover rich avenues for exploration that may impact both synthetic methodologies and therapeutic strategies in the future.


Synonyms
23107-11-1
Dehydroheliotrine
DTXSID20945782
3,8-Didehydroheliotrine
(1-Hydroxy-2,3-dihydro-1H-pyrrolizin-7-yl)methyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate
HELIOTRINE, 3,8-DIDEHYDRO-
RefChem:1049259
DTXCID401374086
Butanoic acid, 2-hydroxy-2-(1-methoxyethyl)-3-methyl-, (2,3-dihydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, (1S-(1-alpha,7(R*(S*))))-
NS00123041