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Tolcapone

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Identification
Molecular formula
C14H11NO5
CAS number
134308-13-7
IUPAC name
3-(4-methoxyphenyl)-1-(1-methylpyrrolidin-3-yl)-1-phenyl-urea
State
State
At room temperature, tolcapone is in a solid state, appearing typically as a crystalline powder. It is not typically soluble in water.
Melting point (Celsius)
147.50
Melting point (Kelvin)
420.70
Boiling point (Celsius)
408.30
Boiling point (Kelvin)
681.50
General information
Molecular weight
273.33g/mol
Molar mass
273.3290g/mol
Density
1.2993g/cm3
Appearence

Tolcapone is typically seen as a yellow to orange solid. It is a crystalline powder and may appear as slightly off-white or tan depending on purity and specific conditions.

Comment on solubility

Solubility of 3-(4-methoxyphenyl)-1-(1-methylpyrrolidin-3-yl)-1-phenyl-urea

The solubility characteristics of 3-(4-methoxyphenyl)-1-(1-methylpyrrolidin-3-yl)-1-phenyl-urea are crucial for its applications in various chemical and pharmaceutical formulations. Understanding its solubility can provide insight into its behavior in different environments. Here are some points to consider:

  • Polarity: The presence of multiple functional groups such as urea suggests that the compound may have a moderate polarity, influencing its solubility in polar solvents like water.
  • Solvent Interaction: Solubility could vary significantly based on solvent choice, with water and organic solvents such as ethanol or DMSO being predominant candidates.
  • Temperature Effects: Temperature may play a role in solubility, as increased temperature often leads to enhanced solubility for solid compounds.
  • Crystal Structure: The arrangement of molecules in the solid state can impact how well the compound dissolves, as more crystalline structures often result in lower solubility.

It is also worth noting that the actual solubility values can significantly differ depending on specific experimental conditions and methods used to measure solubility. Overall, the solubility of this compound is a complex interplay of structural properties and environmental factors.

Interesting facts

Interesting Facts about 3-(4-methoxyphenyl)-1-(1-methylpyrrolidin-3-yl)-1-phenyl-urea

This compound, known for its unique structural configuration, has garnered attention in various fields of chemical research, particularly in medicinal chemistry. Here are some captivating insights:

  • Biological Activity: The compound displays interesting biological properties, making it a potential candidate for drug development. Its structure suggests possible interactions with biological targets, which could lead to therapeutic applications.
  • Structural Composition: The fused phenyl and pyrrolidine components contribute significantly to the compound's activity. The presence of the methoxy group at the para position enhances electron donation, impacting the reactivity and selectivity of the molecule.
  • Mechanism of Action: Compounds similar to this have shown promise in the modulation of neurotransmitter pathways, which may have implications in the treatment of neurological disorders. Their mechanism often involves interference with receptor binding dynamics.
  • Diverse Applications: Due to its complex structure, this compound could potentially be utilized in the creation of novel therapeutic agents or as a biochemical tool in research to elucidate biological mechanisms.
  • Synthetic Challenges: The synthesis of such a compound might present several challenges due to the necessity for specific conditions to ensure selectivity and yield. Understanding these challenges is crucial for chemists looking to scale up production.

In summary, 3-(4-methoxyphenyl)-1-(1-methylpyrrolidin-3-yl)-1-phenyl-urea represents a confluence of complex structure and potential biological significance, making it a continuing subject of interest in the field of chemistry.

Synonyms
19996-92-0
3-(4-methoxyphenyl)-1-(1-methylpyrrolidin-3-yl)-1-phenylurea
4'-Methoxy-N-(1-methyl-3-pyrrolidinyl)carbanilide
BRN 0439097
CARBANILIDE, 4'-METHOXY-N-(1-METHYL-3-PYRROLIDINYL)-
DTXSID70941971
N'-(4-Methoxyphenyl)-N-(1-methylpyrrolidin-3-yl)-N-phenylurea