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Grandiisocoumarin B

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Identification
Molecular formula
C22H18O8
CAS number
150054-31-0
IUPAC name
5-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,8,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-6-one
State
State

The compound is a solid at room temperature. It is typically stable and retains its crystalline structure under standard laboratory conditions.

Melting point (Celsius)
248.00
Melting point (Kelvin)
521.15
Boiling point (Celsius)
620.00
Boiling point (Kelvin)
893.15
General information
Molecular weight
406.40g/mol
Molar mass
406.3960g/mol
Density
1.3821g/cm3
Appearence

Grandiisocoumarin B typically appears as a pale yellow crystalline solid. The compound is often obtained in purified form with a fine crystalline texture.

Comment on solubility

Solubility of 5-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,8,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-6-one

The solubility of C22H18O8, or 5-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,8,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-6-one, can be quite complex due to its unique chemical structure.

Several factors influence its solubility:

  • Polarity: The presence of multiple hydroxyl (-OH) and methoxy (-OCH3) groups may enhance the compound's polarity, potentially increasing its solubility in polar solvents such as water.
  • Hydrogen Bonding: The ability to form hydrogen bonds with solvent molecules can significantly affect solubility, particularly in hydrophilic mediums.
  • Hydrophobic Regions: The isobenzofuro and dioxolane components introduce hydrophobic characteristics that might limit solubility in purely aqueous environments.

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

  1. **Moderate in polar solvents**, due to the presence of hydroxyl groups.
  2. **Reduced in non-polar solvents**, because of its bulky hydrophobic structure.

Understanding these solubility characteristics can be crucial for applications in pharmaceuticals, where effective dissolution is often necessary for bioavailability.

Interesting facts

Exploring the Uniqueness of 5-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,8,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-6-one

The compound 5-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,8,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-6-one, often referred to by its shorthand, encapsulates a fascinating blend of structural complexity and potential applications in various fields such as pharmacology and material science.

Interesting Aspects:

  • Structural Complexity: This compound features a unique fusion of isobenzofuro and benzodioxole systems, providing a rich chemical landscape that can potentially reveal novel properties.
  • Pharmacological Potential: Compounds with similar structural motifs have been investigated for various biological activities, including anti-inflammatory and antioxidant effects, suggesting that this compound might have interesting therapeutic implications.
  • Role of Hydroxy and Methoxy Groups: The presence of both hydroxy and methoxy substituents is significant, as these functional groups often enhance the solubility and reactivity of organic compounds, potentially leading to improved bioactivity.
  • Synthetic Challenges: Due to its intricate structure, synthesizing this compound presents an array of challenges, making it a topic of interest for synthetic chemists aiming to develop innovative methodologies.

In summary, 5-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,8,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-6-one is not just a chemical entity; it represents a pathway to exploring new mechanisms in organic chemistry and biochemistry. As scientists investigate its properties and potential uses, it may very well contribute to advancements in medicinal and synthetic chemistry.

Synonyms
5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one
856581-34-5
MLS002701748
NSC267714
CHEMBL1707682
SCHEMBL16552232
MFCD29654635
NSC-267714
5-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
SMR001565344
NS00115881