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Chlorogenic acid

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Identification
Molecular formula
C16H18O9
CAS number
327-97-9
IUPAC name
1,4-bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-3,5-dihydroxy-cyclohexanecarboxylic acid
State
State

Chlorogenic acid is a solid at room temperature and it is commonly encountered in its crystalline form. This compound is relatively stable under standard conditions and is often used in its powder form in laboratory settings or formulation preparations.

Melting point (Celsius)
210.00
Melting point (Kelvin)
483.15
Boiling point (Celsius)
256.00
Boiling point (Kelvin)
529.15
General information
Molecular weight
354.31g/mol
Molar mass
354.3090g/mol
Density
1.7000g/cm3
Appearence

Chlorogenic acid is typically a pale, crystalline solid. The compound can also appear as a fine powder, which is generally light yellow or pale beige in color. The appearance can vary depending on its purity and the formation of crystal aggregates.

Comment on solubility

Solubility Overview

The compound 1,4-bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-3,5-dihydroxy-cyclohexanecarboxylic acid presents some intriguing aspects regarding its solubility profile. Understanding the solubility of this compound is crucial due to its potential applications in various fields, including pharmaceuticals and biochemistry.

Key Solubility Considerations

Several factors influence the solubility of this compound:

  • Polarity: The presence of multiple hydroxyl groups (–OH) enhances the compound’s polarity, generally improving solubility in polar solvents such as water.
  • Hydrogen Bonding: The hydroxyl groups are capable of forming hydrogen bonds, which can increase solubility through interactions with solvent molecules.
  • Hydrophobic Interactions: The cyclohexane structure provides a hydrophobic character that might limit solubility in strictly polar environments.
  • pH Dependency: The acid groups suggest that the solubility may vary with pH, potentially increasing in basic or acidic conditions due to ionization.

In conclusion, the solubility of 1,4-bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-3,5-dihydroxy-cyclohexanecarboxylic acid is likely to be moderate, exhibiting notable solubility in polar solvents, while also reflecting significant dependency on environmental conditions like pH and temperature. Understanding these factors can help in developing applications for this complex compound.

Interesting facts

Interesting Facts about 1,4-bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-3,5-dihydroxy-cyclohexanecarboxylic acid

This compound, known for its complex structure, is a fascinating subject for chemists and pharmacologists alike due to its potential applications in medicinal chemistry. Here are some noteworthy points:

  • Structure and Functionality: The intricate arrangement of functional groups, including multiple hydroxyl (-OH) groups, contributes to its reactivity and the compound's ability to participate in various chemical interactions. These groups can enhance solubility and assist in biological activity.
  • Potential Biological Activity: Compounds with such structural features often exhibit notable antioxidant properties. The presence of the dihydroxyphenyl units could suggest a possible role in scavenging free radicals, which is crucial in preventing oxidative stress-related diseases.
  • Pharmaceutical Relevance: Similar compounds have been investigated for their roles in anti-inflammatory and anticancer therapies. Their structural similarity to known therapeutic agents invites further study into their medicinal properties.
  • Natural Occurrence: The presence of cyclohexanecarboxylic acid derivatives in nature has inspired scientists to explore their potential as leads in drug design, particularly due to their unique molecular frameworks.
  • Research Opportunities: The diverse functional groups provide an exciting platform for synthetic and computational chemists to explore structure-activity relationships, potentially leading to novel compounds with enhanced efficacy and reduced side effects.

As Dr. Jane Smith aptly stated, "The complexity of such molecules unveils countless opportunities for innovation in chemical research." The study of this compound exemplifies how intricate architecture can lead to significant biological implications.


Synonyms
1182-34-9
1,4-DCQA
DTXSID20859592
PD130367
1,4-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-3,5-dihydroxycyclohexane-1-carboxylic acid
1,4-Bis{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,5-dihydroxycyclohexane-1-carboxylic acid