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CAS 500770-74-1

:

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

Description:
(βS)-3-Chloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenepropanoic acid, with CAS number 500770-74-1, is a synthetic organic compound characterized by its complex structure, which includes a chiral center, a chloro substituent, and an amino acid derivative. This compound features a benzene ring, which contributes to its aromatic properties, and a propanoic acid moiety, indicating its potential as an amino acid analog. The presence of the 1,1-dimethylethoxycarbonyl group suggests that it may be used in various chemical reactions, particularly in peptide synthesis or as a building block in medicinal chemistry. Its chirality implies that it may exhibit specific biological activities, potentially influencing its pharmacological profile. The compound's solubility, stability, and reactivity would depend on the functional groups present and the overall molecular structure. As with many synthetic compounds, its safety and handling would require adherence to standard laboratory protocols, and its applications could span across pharmaceuticals, agrochemicals, or materials science, depending on its specific properties and reactivity.
Formula:C14H18ClNO4
InChI:InChI=1S/C14H18ClNO4/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=UDUKZORPLJUWTF-NSHDSACASA-N
SMILES:[C@H](NC(OC(C)(C)C)=O)(CC(O)=O)C1=CC(Cl)=CC=C1
Synonyms:
  • (3S)-3-[[(tert-Butoxy)carbonyl]amino]-3-(3-chlorophenyl)propanoic acid
  • (βS)-3-Chloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenepropanoic acid
  • (S)-3-(tert-Butoxycarbonylamino)-3-(3-chlorophenyl)propanoic acid
  • Benzenepropanoic acid, 3-chloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]-, (βS)-
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