(2S)-7-chloro-3',4,6-trimethoxy-5'-methyl-spiro[benzofuran-2,4'-cyclohex-2-ene]-1',3-dione

Identification

Molecular formula

C₁₇H₁₅ClO₆

CAS number

872363-17-6

IUPAC name

(2S)-7-chloro-3',4,6-trimethoxy-5'-methyl-spiro[benzofuran-2,4'-cyclohex-2-ene]-1',3-dione

State

At room temperature, this compound exists as a solid, typically in a fine crystalline form. It is stable under normal laboratory conditions.

Melting point (Celsius)

220.00

Melting point (Kelvin)

493.15

Boiling point (Celsius)

420.00

Boiling point (Kelvin)

693.15

General information

Molecular weight

338.75g/mol

Molar mass

338.7920g/mol

Density

1.2912g/cm³

Appearence

This compound typically appears as a crystalline solid. The crystals are often very fine and can vary in color depending on purity.

Comment on solubility

Solubility of (2S)-7-chloro-3',4,6-trimethoxy-5'-methyl-spiro[benzofuran-2,4'-cyclohex-2-ene]-1',3-dione

The solubility of (2S)-7-chloro-3',4,6-trimethoxy-5'-methyl-spiro[benzofuran-2,4'-cyclohex-2-ene]-1',3-dione is an intriguing subject due to its complex molecular structure. Understanding the solubility profile of this compound involves looking into various factors, including its polarity, molecular interactions, and the nature of its substituents.

Factors Influencing Solubility:

Polarity: The presence of multiple methoxy groups tends to enhance solubility in polar solvents, while the spiro structure might introduce steric hindrance.
Hydrogen Bonding: The potential for hydrogen bonding due to the functional groups can affect solubility in water and alcohols.
Solvent Interaction: Like dissolves like; thus, solubility may be improved in organic solvents relative to water.

To summarize, solubility can vary significantly based on the solvent used. Compounds like this often exhibit:

Higher solubility in organic solvents (such as acetone, ethanol, and dichloromethane).
Limited solubility in water, which could be attributed to the hydrophobic regions overpowered by polar replacing effects.

As a principle, it's vital to remember that solubility is context-dependent. The emphasis on solvent quality informs the solubility behavior of (2S)-7-chloro-3',4,6-trimethoxy-5'-methyl-spiro[benzofuran-2,4'-cyclohex-2-ene]-1',3-dione, making this compound an exciting subject for further exploration in chemical research.

Interesting facts

Interesting Facts about (2S)-7-chloro-3',4,6-trimethoxy-5'-methyl-spiro[benzofuran-2,4'-cyclohex-2-ene]-1',3-dione

This compound, with its intricate structure, is a fascinating example of organic chemistry. Here's what makes it stand out:

Structural Complexity: The presence of a spirocyclic structure paired with a benzofuran moiety highlights the **diverse connectivity** of atoms, showcasing how organic compounds can adopt complex arrangements.
Functional Groups: With multiple methoxy groups and a chlorine substituent, this compound embodies a wide range of chemical reactivity. Such functionalization is essential in medicinal chemistry for optimizing biological activity.
Potential Applications: Compounds like this often possess biological properties that can be leveraged in drug design. Understanding its mechanism of action could lead to significant advancements in pharmacology.
Chirality: The (2S) designation indicates that this compound is chiral, meaning it exists in two mirror-image forms. Chirality is crucial in pharmaceuticals since different enantiomers can exhibit different therapeutic effects.
Synthetic Pathways: The synthesis of such complex molecules can provide valuable insight into synthetic methodologies, including reactions such as cyclization and functional group transformations.

In summary, the (2S)-7-chloro-3',4,6-trimethoxy-5'-methyl-spiro[benzofuran-2,4'-cyclohex-2-ene]-1',3-dione represents a unique intersection of structural elegance and functional potential, making it an exciting subject of study for chemists and researchers alike.

Synonyms

HMS3369M22

7-CHLORO-2',4,6-TRIMETHOXY-6'-METHYL-, (1'S-TRANS)-SPIRO(BENZOFURAN-2(3H),1'-(2)CYCLOHEXENE)-3,4'-DIONE