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CAS 959582-85-5

:

1-(1,1-Dimethylethyl) (2S,4R)-4-[[3-(trifluoromethyl)phenyl]methyl]-1,2-pyrrolidinedicarboxylate

Description:
1-(1,1-Dimethylethyl) (2S,4R)-4-[[3-(trifluoromethyl)phenyl]methyl]-1,2-pyrrolidinedicarboxylate, with CAS number 959582-85-5, is a synthetic organic compound characterized by its complex structure featuring a pyrrolidine ring with two carboxylate functional groups. The presence of a tert-butyl group (1,1-dimethylethyl) contributes to its steric bulk, while the trifluoromethyl-substituted phenyl group enhances its lipophilicity and potential biological activity. This compound is likely to exhibit specific stereochemical properties due to its chiral centers, which can influence its reactivity and interactions in biological systems. It may be utilized in medicinal chemistry for the development of pharmaceuticals, particularly in the context of drug design where modifications to the pyrrolidine scaffold can lead to varied pharmacological profiles. Additionally, the trifluoromethyl group is known to impart unique electronic properties, potentially affecting the compound's solubility and stability. Overall, this compound represents a class of molecules that may have significant implications in chemical and pharmaceutical research.
Formula:C18H22F3NO4
InChI:InChI=1S/C18H22F3NO4/c1-17(2,3)26-16(25)22-10-12(9-14(22)15(23)24)7-11-5-4-6-13(8-11)18(19,20)21/h4-6,8,12,14H,7,9-10H2,1-3H3,(H,23,24)/t12-,14+/m1/s1
InChI key:InChIKey=RWCBEYAFNSRYJW-OCCSQVGLSA-N
SMILES:C(OC(C)(C)C)(=O)N1[C@H](C(O)=O)C[C@@H](CC2=CC(C(F)(F)F)=CC=C2)C1
Synonyms:
  • 1-(1,1-Dimethylethyl) (2S,4R)-4-[[3-(trifluoromethyl)phenyl]methyl]-1,2-pyrrolidinedicarboxylate
  • 1,2-Pyrrolidinedicarboxylic acid, 4-[[3-(trifluoromethyl)phenyl]methyl]-, 1-(1,1-dimethylethyl) ester, (2S,4R)-
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