5-(1,3-benzodioxol-5-yl)-7-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline

Identification

Molecular formula

C₁₇H₁₅NO₄

CAS number

172499-82-6

IUPAC name

5-(1,3-benzodioxol-5-yl)-7-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline

State

At room temperature, the compound is typically in a solid state.

Melting point (Celsius)

198.00

Melting point (Kelvin)

471.20

Boiling point (Celsius)

545.10

Boiling point (Kelvin)

818.30

General information

Molecular weight

309.32g/mol

Molar mass

309.3160g/mol

Density

1.2983g/cm³

Appearence

The compound generally appears as a crystalline solid. The color can vary from white to light yellow, and it may also have a characteristic aromatic odor due to its benzodioxole ring structure.

Comment on solubility

Solubility of 5-(1,3-benzodioxol-5-yl)-7-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline

The solubility of the compound 5-(1,3-benzodioxol-5-yl)-7-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline can be influenced by its structural characteristics and molecular interactions. Understanding this solubility profile is crucial for its practical applications and formulation in different environments. Here are some key points to consider:

Polarity: The presence of multiple oxo and dioxole functional groups suggests that this compound may exhibit varying degrees of polarity. The balance of polar and non-polar regions can significantly affect its solubility in different solvents.
Solvent Compatibility: This compound may dissolve well in:

Organic solvents (e.g., methanol, ethanol, and DMSO) due to hydrophobic interactions.
Less likely to dissolve in highly polar solvents like water, given the rigid bicyclic structure which might limit hydrogen-bonding capabilities.

Temperature Dependence: The solubility of this compound could also be temperature-dependent, where increased temperatures typically enhance solubility in organic solvents.
pH Influence: As a compound that may have acidic or basic properties, pH can influence its ionization state, thus affecting solubility in aqueous environments.

In summary, the solubility of 5-(1,3-benzodioxol-5-yl)-7-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline is likely to be multifaceted, driven by its unique molecular structure and environmental conditions. Further experimental data would provide a clearer insight into its solubility characteristics.

Interesting facts

Interesting Facts about 5-(1,3-benzodioxol-5-yl)-7-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline

The compound 5-(1,3-benzodioxol-5-yl)-7-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline is a fascinating member of the isoquinoline family, known for its diverse applications in various fields, particularly in medicinal chemistry. Here are some intriguing aspects of this compound:

Unique Structure: This compound features a complex bicyclic structure that includes both isoquinoline and benzodioxole moieties, contributing to its intriguing chemical properties.
Biological Activity: Compounds with similar structures have been studied for a variety of biological activities, including potential anticancer and neuroprotective effects. Research into this compound may reveal new therapeutic avenues.
Natural Product Inspiration: The incorporation of benzodioxole units is often seen in compounds derived from natural sources, hinting at the potential for discovering new natural products through structural modifications.
Synthetic Routes: The synthesis of this compound can provide valuable insights into the creation of polycyclic structures, showcasing the intricacies of organic synthesis and the importance of multistep procedures in achieving such complex architectures.
Advancements in Research: Continuous research into isoquinoline derivatives, including this compound, is crucial as they are often linked to novel pharmacological properties, making them important targets in drug development.

An insightful quote from a chemistry expert aligns with the study of such compounds: "The more complex the structure, the more potential for discovery lies within it." As we dive deeper into the study of 5-(1,3-benzodioxol-5-yl)-7-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline, we unlock various possibilities bridging chemistry and medicine.