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CAS 1330286-47-9

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1,1-Dimethylethyl (2S,4R)-2-cyano-4-fluoro-1-pyrrolidinecarboxylate

Description:
1,1-Dimethylethyl (2S,4R)-2-cyano-4-fluoro-1-pyrrolidinecarboxylate, with the CAS number 1330286-47-9, is a chemical compound characterized by its pyrrolidine structure, which includes a cyano group and a fluoro substituent. This compound features a tert-butyl group (1,1-dimethylethyl) that enhances its lipophilicity, potentially influencing its solubility and reactivity. The presence of the cyano group introduces a polar functional group, which can participate in various chemical reactions, including nucleophilic additions. The stereochemistry indicated by (2S,4R) suggests specific spatial arrangements of atoms, which can significantly affect the compound's biological activity and interaction with other molecules. This compound may be of interest in pharmaceutical research due to its unique structural features, which could lead to the development of novel therapeutic agents. Its properties, such as melting point, boiling point, and reactivity, would need to be determined through experimental methods for practical applications.
Formula:C10H15FN2O2
InChI:InChI=1S/C10H15FN2O2/c1-10(2,3)15-9(14)13-6-7(11)4-8(13)5-12/h7-8H,4,6H2,1-3H3/t7-,8+/m1/s1
InChI key:InChIKey=QAKRZINKSNCLEV-SFYZADRCSA-N
SMILES:C(OC(C)(C)C)(=O)N1[C@H](C#N)C[C@@H](F)C1
Synonyms:
  • 1,1-Dimethylethyl (2S,4R)-2-cyano-4-fluoro-1-pyrrolidinecarboxylate
  • 1-Pyrrolidinecarboxylic acid, 2-cyano-4-fluoro-, 1,1-dimethylethyl ester, (2S,4R)-
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