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Melatonin

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Identification
Molecular formula
C13H16N2O2
CAS number
73-31-4
IUPAC name
2-[1-(1,3-benzodioxole-5-carbonyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid
State
State

At room temperature, Melatonin is typically a solid.

Melting point (Celsius)
117.00
Melting point (Kelvin)
390.15
Boiling point (Celsius)
618.00
Boiling point (Kelvin)
891.15
General information
Molecular weight
232.28g/mol
Molar mass
232.2780g/mol
Density
1.4121g/cm3
Appearence

Melatonin typically appears as a white or off-white powder.

Comment on solubility

Solubility of 2-[1-(1,3-benzodioxole-5-carbonyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid

This intriguing compound, known as 2-[1-(1,3-benzodioxole-5-carbonyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid, demonstrates unique solubility characteristics that are important for its application in various fields.

When discussing solubility, several factors come into play:

  • Polarity: The presence of both polar and non-polar functional groups in the compound affects its solubility in different solvents.
  • Hydrogen Bonding: The ability to form hydrogen bonds may enhance solubility in polar solvents such as water.
  • Temperature: Increased temperature often improves solubility for most organic compounds.
  • pH Levels: The acidity of the environment can influence solubility; this compound may have varied solubility depending on whether the pH is acidic or basic.

In general, one might expect that:

  • The compound would be more soluble in organic solvents, such as ethanol and dimethyl sulfoxide (DMSO), due to its large non-polar structure.
  • It may exhibit limited solubility in water, particularly in neutral conditions, unless ionization occurs under acidic or basic conditions.

As with many complex organic compounds, further experimental data is necessary to accurately determine precise solubility values in various solvents. Understanding the solubility behavior is key for its practical applications in pharmaceuticals and chemical research.

Interesting facts

Interesting Facts about 2-[1-(1,3-benzodioxole-5-carbonyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid

This compound, with a complex molecular structure, is a fascinating example of how natural products can inspire synthetic chemistry. Its components and properties make it a subject of interest in both medicinal chemistry and pharmacology.

Key Features:

  • Origin: This compound is related to indole and benzodioxole structures, which are often found in various natural alkaloids. These structures lend the compound potential biological activity.
  • Biological Activity: Compounds containing indole and benzodioxole are often investigated for their roles as *antioxidants*, *anti-inflammatory agents*, and even potential *anticancer therapies*.
  • Synthetic Pathways: To synthesize such complex compounds, chemists often utilize a combination of *multi-step synthesis techniques* and *protecting group strategies*. This illustrates the creativity and precision required in modern organic synthesis.

The compound features a carboxylic acid group, which can play a critical role in its solubility and interaction with biological molecules. Its ability to form hydrogen bonds can enhance its affinity toward specific *biomolecular targets* within the body.

Research Potential:

Due to its potential health benefits, research into this compound is ongoing. Such studies may include:

  • Exploration of its mechanisms of action at the *molecular level*
  • Evaluation of its efficacy in various *disease models*
  • Investigation into structure-activity relationships to optimize its potency and selectivity

In summary, 2-[1-(1,3-benzodioxole-5-carbonyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid represents an exciting area of research, merging the realms of synthetic chemistry and medicinal applications. Its intricate structure is not only a testament to the complexity chemists can achieve but also underscores the potential these compounds hold for future drug development.

Synonyms
21722-66-7
ID 955
ID-955
DTXSID60176114
1-(1,3-Benzodioxol-5-ylcarbonyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid
RefChem:147687
DTXCID8098605
Compound ID-955
BRN 0500638
SCHEMBL11061435
Indole-3-acetic acid, 5-methoxy-2-methyl-1-piperonyloyl-
1-(3',4'-Methylenedioxybenzoyl)-2-methyl-5-methoxy-3-indolylacetic acid
2-[1-(1,3-Benzodioxole-5-carbonyl)-5-methoxy-2-methylindol-3-yl]aceticacid
2-Methyl-1-(3,4-methylenedioxybenzoyl)-5-methoxy-1H-indole-3-acetic acid
1-(3',4'-Methylendioxybenzoyl)-2-methyl-5-methoxy-3-indoyl-essigsaeure [German]
1H-Indole-3-acetic acid, 1-(1,3-benzodioxol-5-ylcarboxyl)-5-methoxy-2-methyl-
1H-INDOLE-3-ACETIC ACID, 2-METHYL-1-(3,4-METHYLENEDIOXYBENZOYL)-5-METHOXY-
1-(3',4'-Methylendioxybenzoyl)-2-methyl-5-methoxy-3-indoyl-essigsaeure