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CAS 499995-81-2

:

(βS)-2,4-Dichloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenepropanoic acid

Description:
(βS)-2,4-Dichloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenepropanoic acid, with CAS number 499995-81-2, is a synthetic organic compound characterized by its complex structure, which includes a dichlorobenzene moiety and an amino acid derivative. This compound features a β-chiral center, contributing to its stereochemistry, which is significant in biological activity and interactions. The presence of the 1,1-dimethylethoxycarbonyl group indicates that it may be used as a protective group in synthetic organic chemistry. The dichloro substituents on the benzene ring enhance its reactivity and potential applications in medicinal chemistry, particularly in the development of pharmaceuticals. Additionally, the carboxylic acid functional group suggests that it may exhibit acidic properties, influencing its solubility and reactivity in various solvents. Overall, this compound's unique structural features make it a subject of interest for further research in chemical synthesis and biological applications.
Formula:C14H17Cl2NO4
InChI:InChI=1S/C14H17Cl2NO4/c1-14(2,3)21-13(20)17-11(7-12(18)19)9-5-4-8(15)6-10(9)16/h4-6,11H,7H2,1-3H3,(H,17,20)(H,18,19)/t11-/m0/s1
InChI key:InChIKey=FYFDBWTUQWRLDK-NSHDSACASA-N
SMILES:[C@H](NC(OC(C)(C)C)=O)(CC(O)=O)C1=C(Cl)C=C(Cl)C=C1
Synonyms:
  • Benzenepropanoic acid, 2,4-dichloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]-, (βS)-
  • (βS)-2,4-Dichloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenepropanoic acid
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