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Brucine

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Identification
Molecular formula
C23H26N2O4
CAS number
357-57-3
IUPAC name
6-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6H-furo[3,4-g][1,3]benzodioxol-8-one
State
State

Brucine is generally found as a solid at room temperature. It does not dissolve in water, but can dissolve in organic solvents such as ethanol and benzene.

Melting point (Celsius)
178.00
Melting point (Kelvin)
451.15
Boiling point (Celsius)
605.15
Boiling point (Kelvin)
878.15
General information
Molecular weight
394.47g/mol
Molar mass
394.4470g/mol
Density
1.3665g/cm3
Appearence

Brucine is typically a white to slightly off-white crystalline solid. It is often encountered as fine needles or crystalline powder. The compound is known for having a bitter taste.

Comment on solubility

Solubility of 6-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6H-furo[3,4-g][1,3]benzodioxol-8-one

The solubility of the compound with the formula C23H26N2O4 can be characterized by several key factors, reflecting its complex structure:

  • Polarity: The presence of multiple oxygen atoms suggests inherent polarity, which may enhance solubility in polar solvents such as water.
  • Hydrophobic Regions: The aromatic and alkyl substitutions contribute hydrophobic characteristics, potentially limiting solubility in highly polar solvents.
  • Solvent Interaction: The solubility may vary significantly with different solvents, indicating that “like dissolves like” principle applies—polar solvents may dissolve this compound better than non-polar ones.

To sum it up, the solubility of this compound is likely influenced by:

  1. The balance between its hydrophobic and hydrophilic regions.
  2. The nature of the solvent used, with expectations of better solubility in organic solvents over water.
  3. Temperature, which could also affect solubility rates and ratios.

Understanding the solubility of such complex molecules is essential for their application in various fields, including pharmacology and materials science.

Interesting facts

Fascinating Insights into 6-(6-Methyl-7,8-Dihydro-5H-[1,3]Dioxolo[4,5-g]Isoquinolin-5-Yl)-6H-Furo[3,4-g][1,3]Benzodioxol-8-One

This complex organic compound is an intriguing member of the benzodioxole family, exhibiting a rich tapestry of chemical motifs that play crucial roles in medicinal chemistry. As a compound containing multiple rings and heteroatoms, it demonstrates significant structural diversity.

Structure and Functionality

The elaborate structure incorporates:

  • Isoquinoline moieties, which are known for their potential pharmacological properties.
  • Dioxole rings that contribute to electron-donating characteristics, which may facilitate interactions with biological targets.
  • A furobenzodioxole framework, creating an intricate balance of stability and reactivity, ideal for functionalization.

Potential Applications

Researchers are particularly interested in this compound due to its possible applications in various fields:

  • Pharmacology: Investigations suggest it may exhibit anticancer, anti-inflammatory, and antioxidant activities.
  • Material Science: The unique properties might enable uses in the development of organic electronic materials or sensors.

Research Opportunities

The combination of distinct functional groups and ring systems makes this compound a promising candidate for further research. Potential studies may focus on:

  • Understanding the mechanism of action in biological systems.
  • Exploring synthetic pathways to create analogs with enhanced properties.
  • Investigating its environmental impact and stability in various conditions.

As with many sophisticated compounds, scientific inquiry will continue to reveal new aspects of 6-(6-Methyl-7,8-Dihydro-5H-[1,3]Dioxolo[4,5-g]Isoquinolin-5-Yl)-6H-Furo[3,4-g][1,3]Benzodioxol-8-One, illustrating the vibrant and dynamic nature of chemical research.

Synonyms
(+-)-Bicuculline
6-(6-Methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)furo[3,4-E][1,3]benzodioxol-8(6H)-one
(+)-Bicuculline,1(S),9(R)
Oprea1_485116
SCHEMBL5481014
CHEMBL1444722
ACon1_001600
DTXSID30859402
HMS3369C12
STL581878
AKOS003404630
AKOS022144165
NCGC00015169-02
NCGC00015169-03
NCGC00017385-02
NCGC00017385-03
NCGC00142541-01
NCGC00142541-02
6-(6-Methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2H-furo[3,4-e][1,3]benzodioxol-8(6H)-one
6-(6-Methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)furo[3,4-E][1,3]benzodioxol-8(6H)-one #