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Betulin

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Identification
Molecular formula
C30H50O2
CAS number
473-98-3
IUPAC name
(2S,4bS)-2,4b,8,8-tetramethyl-2-vinyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthrene;methyl formate
State
State

Betulin is a solid at room temperature. Its crystalline structure contributes to its appearance and physical properties, while its lack of solubility in water affects its utility in aqueous solutions.

Melting point (Celsius)
258.00
Melting point (Kelvin)
531.15
Boiling point (Celsius)
411.00
Boiling point (Kelvin)
684.15
General information
Molecular weight
442.71g/mol
Molar mass
442.7140g/mol
Density
0.9305g/cm3
Appearence

Betulin typically appears as a white crystalline powder. It may also appear in smaller crystalline forms or as a fine powder. It does not have a distinct odor and is insoluble in water but soluble in organic solvents like chloroform and ethanol.

Comment on solubility

Solubility of (2S,4bS)-2,4b,8,8-tetramethyl-2-vinyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthrene in Methyl Formate

The solubility of organic compounds often hinges on their molecular structure and functional groups, influencing their interaction with solvents. In the case of (2S,4bS)-2,4b,8,8-tetramethyl-2-vinyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthrene, when considered in conjunction with methyl formate, several factors will determine the overall solubility behavior:

  • Polarity: Methyl formate is a polar solvent, while the octahydro-1H-phenanthrene structure exhibits a largely hydrophobic character, potentially affecting solubility.
  • Hydrogen Bonding: The interactions between the methyl formate's polar nature and any functional groups present in the phenanthrene derivative play a crucial role.
  • Alkyl Substituents: The bulky and branched methyl groups may hinder solvation due to steric effects.
  • Temperature Effects: Solubility may increase with temperature as increased kinetic energy can enhance molecular interactions.

It is essential to remember that “like dissolves like.” Thus, the limited polarity and potential steric hindrance of the octahydro-1H-phenanthrene compound may suggest a low solubility in methyl formate. Direct experimental measurements remain the best approach for obtaining accurate solubility data.

Interesting facts

Compound Overview

One fascinating aspect of the compound known as (2S,4bS)-2,4b,8,8-tetramethyl-2-vinyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthrene; methyl formate is its intriguing chemical structure, which showcases the beauty of organic synthesis. This compound is a significant representative of polycyclic hydrocarbons.

Key Characteristics

  • Complex Structure: The compound features a multi-ring structure, which is typical of phenanthrenes, and includes various functional groups that enhance its reactivity.
  • Stereochemistry: The stereochemical designations (2S,4bS) signify the specific 3D arrangement of atoms, which can play a critical role in the compound’s chemical properties and biological activity.
  • Applications: Organically derived compounds like this one are often explored for their potential in pharmaceutical applications, where they can serve as scaffolds for drug development.

Interesting Facts

In addition to its complex structure, here are some interesting facts about this compound:

  • This compound can serves as a model for studying the dynamics of polycyclic aromatic hydrocarbons, which are often found in limits in various environmental contexts.
  • The vinyl group in its structure suggests potential for polymerization reactions, opening avenues for materials science research.
  • Methyl formate, often associated with this compound in various chemical studies, is noted for its utility as an ester in organic synthesis.

Chemical Insights

As a student or scientist, one might consider the following when studying this compound:

  • Reactivity: The presence of functional groups can significantly influence how the compound interacts with other molecules.
  • Synthesis Pathways: Understanding how this compound can be synthesized is vital for exploiting its applications in research and industry.
  • Impact on Human Health: Studying compounds like this helps uncover potential risks or benefits, particularly if they are tested for biological activity.

In summary, the exploration of (2S,4bS)-2,4b,8,8-tetramethyl-2-vinyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthrene; methyl formate not only enhances our understanding of organic chemistry but also showcases the rich tapestry of interactions that characterize chemical compounds.