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CAS 869489-00-9

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1,1-Dimethylethyl (2S,4S)-2-[(3,3-difluoro-1-pyrrolidinyl)carbonyl]-4-(1-piperazinyl)-1-pyrrolidinecarboxylate

Description:
1,1-Dimethylethyl (2S,4S)-2-[(3,3-difluoro-1-pyrrolidinyl)carbonyl]-4-(1-piperazinyl)-1-pyrrolidinecarboxylate, identified by its CAS number 869489-00-9, is a synthetic organic compound characterized by its complex molecular structure, which includes multiple functional groups such as esters and amides. This compound features a pyrrolidine ring, which contributes to its cyclic structure and potential biological activity. The presence of difluoro substituents indicates that it may exhibit unique electronic properties, potentially influencing its reactivity and interaction with biological targets. The piperazine moiety suggests possible applications in medicinal chemistry, particularly in the development of pharmaceuticals, as piperazine derivatives are often associated with various therapeutic effects. Additionally, the stereochemistry denoted by (2S,4S) indicates specific spatial arrangements of atoms, which can significantly affect the compound's biological activity and pharmacokinetics. Overall, this compound's intricate structure and functional groups suggest it may have potential applications in drug development or as a research chemical in the field of medicinal chemistry.
Formula:C18H30F2N4O3
InChI:InChI=1S/C18H30F2N4O3/c1-17(2,3)27-16(26)24-11-13(22-8-5-21-6-9-22)10-14(24)15(25)23-7-4-18(19,20)12-23/h13-14,21H,4-12H2,1-3H3/t13-,14-/m0/s1
InChI key:InChIKey=NEYBZYHUJLJPLN-KBPBESRZSA-N
SMILES:C(=O)([C@H]1N(C(OC(C)(C)C)=O)C[C@H](C1)N2CCNCC2)N3CCC(F)(F)C3
Synonyms:
  • 1-Pyrrolidinecarboxylic acid, 2-[(3,3-difluoro-1-pyrrolidinyl)carbonyl]-4-(1-piperazinyl)-, 1,1-dimethylethyl ester, (2S,4S)-
  • 1,1-Dimethylethyl (2S,4S)-2-[(3,3-difluoro-1-pyrrolidinyl)carbonyl]-4-(1-piperazinyl)-1-pyrrolidinecarboxylate
  • (2S,4S)-2-[(3,3-Difluoropyrrolidin-1-yl)carbonyl]-4-(piperazin-1-yl)pyrrolidine-1-carboxylic acid tert-butyl ester
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