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Oxybutynin

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Identification
Molecular formula
C22H31NO3
CAS number
5633-20-5
IUPAC name
(1,1-dimethylpyrrolidin-1-ium-3-yl) 2-hydroxy-2-phenyl-2-(2-thienyl)acetate
State
State

At room temperature, oxybutynin is a liquid in its base form or crystalline solid if isolated as a salt.

Melting point (Celsius)
128.80
Melting point (Kelvin)
401.95
Boiling point (Celsius)
421.15
Boiling point (Kelvin)
694.15
General information
Molecular weight
357.49g/mol
Molar mass
357.4920g/mol
Density
1.0465g/cm3
Appearence

Oxybutynin is typically a colorless to pale yellow syrup. It may crystallize from the syrupy state to form white or slightly off-white crystals upon standing.

Comment on solubility

Solubility of (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-hydroxy-2-phenyl-2-(2-thienyl)acetate

The solubility of the compound (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-hydroxy-2-phenyl-2-(2-thienyl)acetate can be influenced by several factors:

  • Polarity: This compound contains a quaternary ammonium group, which generally increases its polarity. Polarity often enhances solubility in polar solvents, like water.
  • Hydroxy Groups: The presence of a hydroxy group (-OH) can form hydrogen bonds with solvent molecules, improving solubility in polar solvents.
  • Phenyl and Thienyl Groups: The aromatic nature of the phenyl and thienyl groups may enhance solubility in organic solvents, although they might pose limitations in strictly polar systems.

Thus, it is essential to consider the solvent environment to accurately determine the solubility:

  • In polar solvents: Likely to be quite soluble due to the emphasis on hydrophilicity from the quaternary ammonium and hydroxy groups.
  • In non-polar solvents: The solubility might decrease due to the hydrophobic character of the phenyl and thienyl groups.

In conclusion, understanding the interplay between polarity and structural attributes is vital in gauging the solubility characteristics of this intriguing compound. A practical approach may involve experimental solubility tests across various solvent systems to obtain a clearer perspective.

Interesting facts

Exploring (1,1-Dimethylpyrrolidin-1-ium-3-yl) 2-Hydroxy-2-phenyl-2-(2-thienyl)acetate

(1,1-Dimethylpyrrolidin-1-ium-3-yl) 2-hydroxy-2-phenyl-2-(2-thienyl)acetate is an intriguing compound that belongs to a family of ionic liquids, which have gained attention in both academic and industrial fields due to their unique properties. Here are some compelling facts about this compound:

  • Structure and Functionality: The presence of a pyrrolidin-ium ion gives this compound its ionic characteristics, making it a candidate for various applications such as solvents in chemical processes.
  • Biological Relevance: The hydroxy and phenyl functionalities confer potential biological activity, opening avenues for research in medicinal chemistry.
  • Thienyl Moiety: The inclusion of a thienyl group is noteworthy; thiophene derivatives are often involved in organic electronics, suggesting potential applications in that field.
  • Sustainable Chemistry: Ionic liquids such as this one are often touted for their green chemistry attributes, including reduced volatility and lower environmental impact compared to traditional solvents.
  • Versatile Solvation Properties: The ability to tailor the properties of ionic liquids through modifications in their structure allows for customization to meet specific needs in research or industry.

This compound exemplifies the growing interest in the study of ionic liquids in modern chemistry. As scientists continue to explore their applications, (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-hydroxy-2-phenyl-2-(2-thienyl)acetate stands out as a promising candidate for both fundamental research and practical applications. The intersection of its unique structural attributes and functionalities invites further investigation and study.

Synonyms
Heteronium
Heteronium ion
Heteronium cation
2FN14CSE90
UNII-2FN14CSE90
21379-80-6
Pyrrolidinium, 3-((hydroxyphenyl-2-thienylacetyl)oxy)-1,1-dimethyl-
Pyrrolidinium, 3-((2-hydroxy-2-phenyl-2-(2-thienyl)acetyl)oxy)-1,1-dimethyl-
(+-)-3-hydroxy-1,1-dimethylpyrrolidinium .alpha.-phenyl-2-thiopheneglycolate
(+-)-3-hydroxy-1,1-dimethylpyrrolidinium alpha-phenyl-2-thiopheneglycolate
.alpha+beta.-(+-)-(1-methyl-3-pyrrolidinyl) alpha-phenyl-alpha-(2-thienyl)glycolate
.alpha.+.beta.-(+-)-(1-methyl-3-pyrrolidinyl) .alpha.-phenyl-.alpha.-(2-thienyl)glycolate
alphabeta-(+-)-(1-methyl-3-pyrrolidinyl) alpha-phenyl-alpha-(2-thienyl)glycolate
(+/-)-3-Hydroxy-1,1-dimethylpyrrolidinium alpha-phenyl-2-thiopheneglycolate
alphabeta-(+/-)-(1-methyl-3-pyrrolidinyl) alpha-phenyl-alpha-(2-thienyl)glycolate
(+/-)-3-HYDROXY-1,1-DIMETHYLPYRROLIDINIUM .ALPHA.-PHENYL-2-THIOPHENEGLYCOLATE
.ALPHA.+.BETA.-(+/-)-(1-METHYL-3-PYRROLIDINYL) .ALPHA.-PHENYL-.ALPHA.-(2-THIENYL)GLYCOLATE
SCHEMBL249397
CHEMBL2110853
DTXSID60864029
Q27254686
3-{[Hydroxy(phenyl)(thiophen-2-yl)acetyl]oxy}-1,1-dimethylpyrrolidin-1-ium
(1,1-Dimethylpyrrolidin-1-ium-3-yl)2-hydroxy-2-phenyl-2-thiophen-2-ylacetate bromide
.ALPHA+BETA.-(+/-)-(1-METHYL-3-PYRROLIDINYL) ALPHA-PHENYL-ALPHA-(2-THIENYL)GLYCOLATE