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Identification
Molecular formula
C22H29FO5
CAS number
7598-62-7
IUPAC name
(1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-hydroxy-2,2-diphenyl-acetate;methyl sulfate
State
State

Compound is typically found in a solid state at room temperature. It is stable under normal conditions of use and storage.

Melting point (Celsius)
255.00
Melting point (Kelvin)
528.20
Boiling point (Celsius)
365.30
Boiling point (Kelvin)
638.50
General information
Molecular weight
392.47g/mol
Molar mass
392.4690g/mol
Density
1.2740g/cm3
Appearence

Compound is crystalline in nature and may appear as a white to off-white powder.

Comment on solubility

Solubility of (1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-hydroxy-2,2-diphenyl-acetate; methyl sulfate

This compound exhibits interesting solubility characteristics due to its complex structure. The solubility can be influenced by several factors:

  • Polarity: The presence of both ionic and non-ionic components in its structure can lead to variable solubility in different solvents. Ionic portions often enhance solubility in polar solvents like water.
  • Hydrogen Bonding: The 2-hydroxy group plays a significant role, allowing potential hydrogen bonding with solvents, which can increase solubility.
  • Hydrophobic Interactions: The diphenyl segment of the molecule may result in hydrophobic interactions that could limit solubility in highly polar solvents.

In practical terms, it means that:

  • This compound may be soluble in water but could show varying degrees of solubility in organic solvents, depending on their polarity.
  • Testing in both polar and non-polar solvents would provide comprehensive insights into its solubility profile.
  • As a result, its applications in pharmaceutical formulations may differ based on solubility behavior.

In conclusion, understanding the solubility of this compound is crucial, as it affects both its practical uses and efficacy in various applications.

Interesting facts

Interesting Facts about (1,1-Dimethylpyrrolidin-1-ium-2-yl)methyl 2-hydroxy-2,2-diphenyl-acetate; Methyl Sulfate

The compound known as (1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-hydroxy-2,2-diphenyl-acetate; methyl sulfate is a fascinating example of a quaternary ammonium compound. These types of compounds are known for their unique properties and applications, making them valuable in various fields.

Key Features

  • Dual Functionality: The presence of a pyrrolidine ring combined with the acetate functionality imparts both nucleophilic and electrophilic characteristics, making this compound a versatile reagent in organic synthesis.
  • Biological Relevance: Quaternary ammonium compounds such as this one often exhibit biological activity, including antimicrobial and antifungal properties. They are sometimes used as disinfectants and antiseptics.
  • Surfactant Applications: The structure allows this compound to function as a surfactant, reducing surface tension and stabilizing emulsions, which is essential in cosmetic and pharmaceutical formulations.
  • New Frontiers in Research: Ongoing studies are exploring the potential of this type of compound in drug delivery systems, highlighting its significance in modern medicinal chemistry.

Scientific Insights

As a scientist or chemistry student, it's exciting to delve into the mechanisms by which such compounds interact with biological systems. The presence of the methyl sulfate group indicates potential reactivity, making it an intriguing subject for studies in structure-activity relationships. Researchers often say:

"The future of pharmaceuticals lies in the manipulation of small molecules—understanding compounds like (1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-hydroxy-2,2-diphenyl-acetate can lead to groundbreaking discoveries."

In conclusion, this compound not only showcases the complexity of organic chemistry but also emphasizes the importance of quaternary ammonium compounds in various scientific disciplines. Its multifaceted nature continues to inspire research and innovation.

Synonyms
Poldine methylsulfate
Poldine metilsulfate
545-80-2
Nacton
Poldini metilsulfas
Alfaland
Nactate
Metilsulfate de poldine
Metilsulfato de poldina
Poldine methosulfate
Poldoni methylsulfas
Poldine metilsulphate
McN-R-726-47
I.S. 499
Poldine methyl methosulfate
Poldine metilsulfate [INN]
Poldine methylsulfate [USAN]
Poldini metilsulfas [INN-Latin]
CLB-499
UNII-564C0W9848
Poldine methylsulfate [USAN:USP]
EINECS 208-894-6
IS-499
Metilsulfate de poldine [INN-French]
Metilsulfato de poldina [INN-Spanish]
I.S.-499
Poldine methylsulfate (USAN)
564C0W9848
POLDINE METHYLSULFATE [MI]
2-(Hydroxymethyl)-1,1-dimethylpyrrolidinium methyl sulfate benzilate
POLDINE METILSULFATE [MART.]
POLDINE METILSULFATE [WHO-DD]
Poldini metilsulfas (INN-Latin)
Poldine methylsulfate (USAN:USP)
(1-METHYL-2-PYRROLIDINYL)METHYL BENZILATE METHYL METHOSULFATE
POLDINE METILSULFATE (MART.)
Metilsulfate de poldine (INN-French)
2-(HYDROXYMETHYL)-1,1-DIMETHYLPYRROLIDINIUM METHYL SULPHATE BENZILATE
Metilsulfato de poldina (INN-Spanish)
PYRROLIDINIUM, 2-(HYDROXYMETHYL)-1,1-DIMETHYL-, METHYL SULFATE, BENZILATE
PYRROLIDINIUM, 2-(((2-HYDROXY-2,2-DIPHENYLACETYL)OXY)METHYL)-1,1-DIMETHYL-, METHYL SULFATE (1:1)
Nacton fte
Pyrrolidinium, 2-[[(2-hydroxy-2,2-diphenylacetyl)oxy]methyl]-1,1-dimethyl-, methyl sulfate (1:1)
poldine methyl sulfate
poldine methyl sulphate
Poldine methylsulphate
(1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-hydroxy-2,2-diphenylacetate;methyl sulfate
Poldinmetilsulfat
SCHEMBL250977
CHEMBL2106739
DTXSID80969686
DQHAZEKGLAMVFA-UHFFFAOYSA-M
NS00120792
D05535
Q27261372
2-({[Hydroxy(diphenyl)acetyl]oxy}methyl)-1,1-dimethylpyrrolidin-1-ium methyl sulfate
Pyrrolidinium 2-(((hydroxydiphenylacetyl)oxy)methyl)-1,1-dimethyl-, methyl sulfate
PYRROLIDINIUM, 2-(((HYDROXYDIPHENYLACETYL)OXY)METHYL)-1,1-DIMETHYL-, METHYL SULFATE (SALT)