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CAS 139520-43-7

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2-([(BENZYLOXY)CARBONYL]AMINO)-3,3,3-TRIFLUORO-2-METHYLPROPANOIC ACID

Description:
2-([(Benzyloxy)carbonyl]amino)-3,3,3-trifluoro-2-methylpropanoic acid, with the CAS number 139520-43-7, is a synthetic organic compound characterized by its complex structure that includes a trifluoromethyl group, a benzyloxycarbonyl moiety, and a carboxylic acid functional group. This compound is typically used in pharmaceutical research and development due to its potential applications in drug synthesis and as an intermediate in the preparation of biologically active molecules. The presence of the trifluoromethyl group enhances lipophilicity and metabolic stability, which can influence the pharmacokinetic properties of derivatives. The benzyloxycarbonyl group serves as a protective group for amino functionalities, facilitating selective reactions during synthetic processes. Additionally, the compound's acidic nature is attributed to the carboxylic acid group, which can participate in various chemical reactions, including esterification and amidation. Overall, this compound exemplifies the intricate design often required in medicinal chemistry to optimize the properties of therapeutic agents.
Formula:C12H12F3NO4
InChI:InChI=1/C12H12F3NO4/c1-11(9(17)18,12(13,14)15)16-10(19)20-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,16,19)(H,17,18)
SMILES:CC(C(=O)O)(C(F)(F)F)N=C(O)OCc1ccccc1
Synonyms:
  • 2-{[(benzyloxy)carbonyl]amino}-3,3,3-trifluoro-2-methylpropanoic acid
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