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CAS 500770-76-3

:

(βS)-3-Bromo-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenepropanoic acid

Description:
(βS)-3-Bromo-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenepropanoic acid is a chemical compound characterized by its complex structure, which includes a bromine atom, an amino group, and a carboxylic acid functional group. The presence of the 1,1-dimethylethoxycarbonyl group indicates that it has protective characteristics, often used in organic synthesis to shield reactive functional groups. The compound's stereochemistry is denoted by the (βS) configuration, which implies specific spatial arrangements of its atoms, influencing its reactivity and interactions with biological systems. This compound is likely to exhibit moderate solubility in polar solvents due to the presence of the carboxylic acid group, while the bulky dimethylethoxy group may impart some hydrophobic characteristics. Its bromine substituent can also enhance reactivity in nucleophilic substitution reactions. Overall, this compound may have applications in medicinal chemistry or as an intermediate in the synthesis of more complex molecules, although specific applications would depend on further research and development.
Formula:C14H18BrNO4
InChI:InChI=1S/C14H18BrNO4/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=UTYRIGRZLZNTLR-NSHDSACASA-N
SMILES:[C@H](NC(OC(C)(C)C)=O)(CC(O)=O)C1=CC(Br)=CC=C1
Synonyms:
  • (3R)-3-(3-Bromophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid
  • (3S)-3-(3-Bromophenyl)-3-(tert-butoxycarbonylamino)propanoic acid
  • (3S)-3-(3-Bromophenyl)-3-[[(tert-butoxy)carbonyl]amino]propanoic acid
  • (S)-3-(3-Bromophenyl)-3-((tert-butoxycarbonyl)amino)propanoicacid
  • (βS)-3-Bromo-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenepropanoic acid
  • 3-(3-Bromophenyl)-3-[(tert-butoxycarbonyl)amino]propanoic acid
  • Benzenepropanoic Acid, 3-Bromo-Beta-[[(1,1-Dimethylethoxy)Carbonyl]Amino]-
  • Benzenepropanoic acid, 3-bromo-β-[[(1,1-dimethylethoxy)carbonyl]amino]-, (βS)-
  • Boc-(S)-3-Amino-3-(3-bromophenyl)-propionic acid
  • benzenepropanoic acid, 3-bromo-beta-[[(1,1-dimethylethoxy)carbonyl]amino]-, (betaR)-
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