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CAS 500770-72-9

:

(βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-fluorobenzenepropanoic acid

Description:
The chemical substance known as (βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-fluorobenzenepropanoic acid, with the CAS number 500770-72-9, is a synthetic organic compound characterized by its complex structure that includes a fluorobenzene moiety and an amino acid derivative. This compound features a chiral center, indicated by the (βS) designation, which implies that it exists in a specific stereoisomeric form. The presence of the 1,1-dimethylethoxycarbonyl group suggests that it may be used as a protecting group in peptide synthesis or other organic reactions. The fluorine atom in the benzene ring can influence the compound's reactivity and biological activity, potentially enhancing its pharmacological properties. Additionally, the carboxylic acid functional group indicates that it can participate in acid-base reactions and may exhibit solubility in polar solvents. Overall, this compound is of interest in medicinal chemistry and drug development due to its structural features and potential applications in therapeutic contexts.
Formula:C14H18FNO4
InChI:InChI=1S/C14H18FNO4/c1-14(2,3)20-13(19)16-11(8-12(17)18)9-5-4-6-10(15)7-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
InChI key:InChIKey=IQPQPXUDXQDVMK-NSHDSACASA-N
SMILES:[C@H](NC(OC(C)(C)C)=O)(CC(O)=O)C1=CC(F)=CC=C1
Synonyms:
  • (3S)-3-[[(tert-Butoxy)carbonyl]amino]-3-(3-fluorophenyl)propanoic acid
  • (S)-3-((tert-Butoxycarbonyl)amino)-3-(3-fluorophenyl)propanoic acid
  • (S)-3-(Boc-Amino)-3-(3-Fluorophenyl)Propanoic Acid
  • (βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-fluorobenzenepropanoic acid
  • Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-3-fluoro-, (βS)-
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