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.alpha.-tocopheryloxyacetic acid

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Identification
Molecular formula
C29H48O3
CAS number
54-28-4
IUPAC name
N,N'-bis[[(1R,4aS)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]ethane-1,2-diamine
State
State

At room temperature, this compound is a liquid, which is typical for many organic compounds with long carbon chains and functional groups like esters and ethers. Its oily texture is also a common characteristic of such compounds.

Melting point (Celsius)
16.40
Melting point (Kelvin)
289.55
Boiling point (Celsius)
387.15
Boiling point (Kelvin)
660.30
General information
Molecular weight
474.80g/mol
Molar mass
474.8040g/mol
Density
1.1300g/cm3
Appearence

The compound appears as a pale yellow, oily liquid. It is commonly known for its use in vitamin E derivatives. As a liquid, it is often clear but can have a slight yellow tint due to its molecular structure.

Comment on solubility

Solubility of N,N'-bis[[(1R,4aS)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]ethane-1,2-diamine

The solubility of N,N'-bis[[(1R,4aS)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]ethane-1,2-diamine can be characterized as follows:

  • Polarity: This compound has significant polar and nonpolar characteristics due to the presence of both hydrophilic amine groups and hydrophobic phenanthrenyl moieties.
  • Solvent Compatibility: It is expected to have variable solubility in common organic solvents:
    • Highly soluble in polar solvents like methanol and ethanol.
    • Moderate solubility in less polar solvents like chloroform and acetone.
    • Low solubility in nonpolar solvents such as hexane.
  • Temperature Effects: Generally, solubility can increase with temperature. This compound may demonstrate enhanced solubility at elevated temperatures.
  • pH Influence: The amine groups can undergo protonation, significantly affecting solubility in acidic or basic environments. At lower pH, the solubility could increase due to the formation of charged species.

In conclusion, while the solubility of N,N'-bis[[(1R,4aS)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]ethane-1,2-diamine is influenced by multiple factors, it is primarily soluble in polar solvents, showcasing the importance of understanding chemical environments for effective use in applications.

Interesting facts

Interesting Facts About N,N'-bis[[(1R,4aS)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]ethane-1,2-diamine

This compound, a remarkable example of a bis-amine, presents a fascinating interplay of structural complexity and biological potential. Here are some insightful highlights:

  • Structural Diversity: The presence of the hexahydrophenanthrene core provides this compound with unique stereochemistry, making it an exciting subject for chemists studying conformational isomerism.
  • Applications in Drug Development: Compounds with similar structures have been investigated for their biological efficacy. The intricate arrangement of functional groups hints at possible interactions with biological systems, which could lead to therapeutic candidates.
  • Isopropyl Substitution: The isopropyl group plays a crucial role in modulating the compound's hydrophobicity and biological activity. This influence is a key area of research in medicinal chemistry.
  • Green Chemistry Considerations: As discussions around sustainable chemistry grow, exploring the synthesis and modification of such compounds could contribute to greener practices, particularly in drug discovery.

Through these lenses, N,N'-bis[[(1R,4aS)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]ethane-1,2-diamine stands as a striking example of how intricate molecular design can harness diverse chemical properties for innovative applications.

Synonyms
SCHEMBL19174219