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CAS 204387-54-2

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2-Pyrrolidinecarbonitrile, (2S)-, 4-methylbenzenesulfonate (1:1)

Description:
2-Pyrrolidinecarbonitrile, (2S)-, 4-methylbenzenesulfonate (1:1) is a chemical compound characterized by its pyrrolidine ring structure, which is a five-membered nitrogen-containing heterocycle. The compound features a carbonitrile functional group, contributing to its reactivity and potential applications in organic synthesis. The (2S)- designation indicates that it has a specific stereochemistry, which can influence its biological activity and interactions. The presence of the 4-methylbenzenesulfonate moiety suggests that it may exhibit sulfonate properties, enhancing its solubility in polar solvents and potentially increasing its utility in various chemical reactions. This compound may be of interest in medicinal chemistry and drug development due to its structural features, which can be tailored for specific biological targets. Additionally, the sulfonate group can serve as a leaving group in nucleophilic substitution reactions, making it versatile in synthetic pathways. Overall, 2-Pyrrolidinecarbonitrile, (2S)-, 4-methylbenzenesulfonate (1:1) is a compound with unique structural characteristics that may have significant implications in chemical research and applications.
Formula:C7H8O3S·C5H8N2
InChI:InChI=1S/C7H8O3S.C5H8N2/c1-6-2-4-7(5-3-6)11(8,9)10;6-4-5-2-1-3-7-5/h2-5H,1H3,(H,8,9,10);5,7H,1-3H2/t;5-/m.0/s1
InChI key:InChIKey=ZILVRYHBTINJDJ-ZSCHJXSPSA-N
SMILES:C(#N)[C@@H]1CCCN1.S(=O)(=O)(O)C1=CC=C(C)C=C1
Synonyms:
  • 2-Pyrrolidinecarbonitrile, (2S)-, 4-methylbenzenesulfonate (1:1)
  • 2-Pyrrolidinecarbonitrile, (2S)-, mono(4-methylbenzenesulfonate)
  • (2S)-2-Pyrrolidinecarbonitrile 4-methylbenzenesulfonate
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