Caffeic acid phenethyl ester | Solubility of Things

Identification

Molecular formula

C₁₇H₁₆O₄

CAS number

104594-70-9

IUPAC name

7-(1,3-benzodioxol-5-yl)-3-methoxy-hepta-2,4-dienoic acid

State

At room temperature, caffeic acid phenethyl ester is in a solid state, specifically forming crystalline structures. It exhibits a distinct yellow color.

Melting point (Celsius)

125.00

Melting point (Kelvin)

398.15

Boiling point (Celsius)

622.10

Boiling point (Kelvin)

895.20

General information

Molecular weight

284.27g/mol

Molar mass

284.2720g/mol

Density

1.3830g/cm³

Appearence

Caffeic acid phenethyl ester appears as a yellow crystalline solid. The compound may assume a light brown color upon aging or exposure to air and light due to oxidation.

Comment on solubility

Solubility of 7-(1,3-benzodioxol-5-yl)-3-methoxy-hepta-2,4-dienoic acid

The solubility of 7-(1,3-benzodioxol-5-yl)-3-methoxy-hepta-2,4-dienoic acid can be an intriguing topic, given its unique structure. Understanding its solubility properties involves considering several factors:

Polarity: The presence of functional groups like methoxy and carboxylic acids influences polarity, thereby affecting solubility in polar vs. non-polar solvents.
Hydrogen Bonding: This compound may engage in hydrogen bonding due to OH and COOH functionalities, which can enhance its solubility in water.
Solvent Interaction: The choice of solvent is critical; polar solvents like water and alcohols may dissolve this compound better than non-polar solvents like hexane.
Structure Activity Relationship: The complex structure suggests that solubility can vary widely depending on the presence of substituents such as the benzodioxole group, which might affect overall solubility.

In summary, while the solubility of 7-(1,3-benzodioxol-5-yl)-3-methoxy-hepta-2,4-dienoic acid is likely influenced by various factors, detailed empirical data is essential to draw definitive conclusions. As noted in the field, "The right solvent can make all the difference in solubility!"

Interesting facts

Interesting Facts about 7-(1,3-benzodioxol-5-yl)-3-methoxy-hepta-2,4-dienoic acid

7-(1,3-benzodioxol-5-yl)-3-methoxy-hepta-2,4-dienoic acid, also known as a fascinating organic compound, belongs to a class of substances that showcases the intricate relationship between structure and function in organic chemistry. Here are some engaging aspects of this compound:

Natural Origin: This compound is often associated with various natural products, particularly in the realm of pharmacognosy, where it may be derived from plants known for their medicinal properties.
SAR Insights: Studying the structure-activity relationships (SAR) of this compound can provide critical insights into how modifications influence its biological activity. This can lead to the development of new pharmaceutical agents.
Benzodioxole Moiety: The presence of the 1,3-benzodioxole structure is significant as it is frequently found in compounds exhibiting anti-inflammatory and antioxidant activities.
Potential Applications: This compound opens avenues in medicinal chemistry, where it could serve as a lead compound to synthesize derivatives with enhanced efficacy or reduced toxicity.
Research Interest: Given its unique structure, researchers are continually investigating its role in various biochemical pathways, exploring its potential as an inhibitor or modulator of specific enzymes relevant in disease contexts.

In summary, the exploration of 7-(1,3-benzodioxol-5-yl)-3-methoxy-hepta-2,4-dienoic acid reveals a promising compound that bridges natural compounds with synthetic chemistry, presenting opportunities for further research and development in therapeutic applications. As noted by many chemists, "The smallest change in structure can lead to significant changes in activity."