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CAS 269396-56-7

:

(βR)-3,4-Dichloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid

Description:
(βR)-3,4-Dichloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid, with CAS number 269396-56-7, 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 and potential biological activity. 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 protective group in organic synthesis. The dichloro substitution on the benzene ring enhances its reactivity and may influence its interaction with biological targets. 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's unique structural features make it of interest in medicinal chemistry and drug development, particularly in the context of designing compounds with specific biological activities.
Formula:C15H19Cl2NO4
InChI:InChI=1S/C15H19Cl2NO4/c1-15(2,3)22-14(21)18-10(8-13(19)20)6-9-4-5-11(16)12(17)7-9/h4-5,7,10H,6,8H2,1-3H3,(H,18,21)(H,19,20)/t10-/m1/s1
InChI key:InChIKey=WJEUUKADFJNOHW-SNVBAGLBSA-N
SMILES:[C@H](CC1=CC(Cl)=C(Cl)C=C1)(NC(OC(C)(C)C)=O)CC(O)=O
Synonyms:
  • (3R)-3-[(tert-butoxycarbonyl)amino]-4-(3,4-dichlorophenyl)butanoic acid
  • (R)-3-(tert-Butoxycarbonylamino)-4-(3,4-dichlorophenyl)butanoic acid
  • (βR)-3,4-Dichloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid
  • Benzenebutanoic acid, 3,4-dichloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]-, (βR)-
  • Boc-D-β-HoPhe(3,4-DiCl)-OH
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