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CAS 470482-44-1

:

1-(1,1-Dimethylethyl) (2S,4R)-4-(trifluoromethyl)-1,2-pyrrolidinedicarboxylate

Description:
1-(1,1-Dimethylethyl) (2S,4R)-4-(trifluoromethyl)-1,2-pyrrolidinedicarboxylate, identified by its CAS number 470482-44-1, is a chemical compound characterized by its unique structural features. It contains a pyrrolidine ring, which is a five-membered nitrogen-containing heterocycle, and is substituted with a trifluoromethyl group, enhancing its lipophilicity and potentially influencing its biological activity. The presence of two carboxylate ester functionalities contributes to its reactivity and solubility in various solvents. The specific stereochemistry indicated by the (2S,4R) configuration suggests that the compound has distinct spatial arrangements that can affect its interaction with biological targets. Additionally, the tert-butyl group (1,1-dimethylethyl) provides steric hindrance, which may influence the compound's stability and reactivity. Overall, this compound's characteristics make it of interest in medicinal chemistry and related fields, where its unique properties could be leveraged for therapeutic applications or as a synthetic intermediate.
Formula:C11H16F3NO4
InChI:InChI=1S/C11H16F3NO4/c1-10(2,3)19-9(18)15-5-6(11(12,13)14)4-7(15)8(16)17/h6-7H,4-5H2,1-3H3,(H,16,17)/t6-,7+/m1/s1
InChI key:InChIKey=OHIYKPXMNWXZQH-RQJHMYQMSA-N
SMILES:C(OC(C)(C)C)(=O)N1[C@H](C(O)=O)C[C@@H](C(F)(F)F)C1
Synonyms:
  • 1,2-Pyrrolidinedicarboxylic acid, 4-(trifluoromethyl)-, 1-(1,1-dimethylethyl) ester, (2S,4R)-
  • 1-(1,1-Dimethylethyl) (2S,4R)-4-(trifluoromethyl)-1,2-pyrrolidinedicarboxylate
  • (4R)-1-(tert-Butoxycarbonyl)-4-(trifluoromethyl)-L-proline
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