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CAS 1353978-84-3

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1,1-Dimethylethyl 2-[[(3-cyano-2-pyridinyl)thio]methyl]-1-pyrrolidinecarboxylate

Description:
1,1-Dimethylethyl 2-[[(3-cyano-2-pyridinyl)thio]methyl]-1-pyrrolidinecarboxylate, identified by its CAS number 1353978-84-3, is a chemical compound characterized by its complex structure, which includes a pyrrolidine ring, a pyridine moiety, and a cyano group. This compound features a thioether linkage, which contributes to its reactivity and potential applications in medicinal chemistry. The presence of the dimethyl group enhances its steric properties, potentially influencing its biological activity and solubility. The cyano group is known for its electron-withdrawing properties, which can affect the compound's reactivity and interaction with biological targets. Overall, this compound may exhibit interesting pharmacological properties, making it a subject of interest in drug discovery and development. Its specific characteristics, such as melting point, boiling point, and solubility, would require empirical data for precise evaluation, but its structural features suggest potential utility in various chemical and biological applications.
Formula:C16H21N3O2S
InChI:InChI=1S/C16H21N3O2S/c1-16(2,3)21-15(20)19-9-5-7-13(19)11-22-14-12(10-17)6-4-8-18-14/h4,6,8,13H,5,7,9,11H2,1-3H3
InChI key:InChIKey=RLUUEXLVXGXIAL-UHFFFAOYSA-N
SMILES:C(SC1=C(C#N)C=CC=N1)C2N(C(OC(C)(C)C)=O)CCC2
Synonyms:
  • 1,1-Dimethylethyl 2-[[(3-cyano-2-pyridinyl)thio]methyl]-1-pyrrolidinecarboxylate
  • 1-Pyrrolidinecarboxylic acid, 2-[[(3-cyano-2-pyridinyl)thio]methyl]-, 1,1-dimethylethyl ester
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