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CAS 545-80-2

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Pyrrolidinium, 2-[[(2-hydroxy-2,2-diphenylacetyl)oxy]methyl]-1,1-dimethyl-, methyl sulfate (1:1)

Description:
Pyrrolidinium, 2-[[[2-hydroxy-2,2-diphenylacetyl]oxy]methyl]-1,1-dimethyl-, methyl sulfate (1:1), commonly referred to by its CAS number 545-80-2, is a quaternary ammonium compound characterized by its pyrrolidinium structure, which includes a dimethylated nitrogen atom. This compound features a hydroxy-diphenylacetyl group that contributes to its unique properties, including potential applications in pharmaceuticals and as a surfactant. The presence of the methyl sulfate moiety indicates that it is a salt, which can enhance its solubility in polar solvents. Pyrrolidinium derivatives are often noted for their stability and ability to form ionic interactions, making them useful in various chemical and biological contexts. Additionally, the compound may exhibit antimicrobial or antifungal properties, which are common in quaternary ammonium compounds. Its specific characteristics, such as melting point, solubility, and reactivity, would depend on the precise conditions and formulations in which it is used. Safety data should be consulted for handling and usage guidelines, as with all chemical substances.
Formula:C21H26NO3·CH3O4S
InChI:InChI=1S/C21H26NO3.CH4O4S/c1-22(2)15-9-14-19(22)16-25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18;1-5-6(2,3)4/h3-8,10-13,19,24H,9,14-16H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
InChI key:InChIKey=DQHAZEKGLAMVFA-UHFFFAOYSA-M
SMILES:S(OC)(=O)(=O)[O-].C(C(OCC1[N+](C)(C)CCC1)=O)(O)(C2=CC=CC=C2)C3=CC=CC=C3
Synonyms:
  • (1-Methyl-2-pyrrolidinyl)methyl benzilate methyl methosulfate
  • 2-(Hydroxymethyl)-1,1-dimethylpyrrolidinium methyl sulfate, benzilate
  • 2-({[Hydroxy(Diphenyl)Acetyl]Oxy}Methyl)-1,1-Dimethylpyrrolidinium Methyl Sulfate
  • 2-Benziloyloxymethyl-1,1-Dimethylpyrrolidinium Methyl Sulphate
  • Alfaland
  • Clb 499
  • Is 499
  • McN-R 726-47
  • Nactate
  • Nacton
  • See more synonyms
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