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CAS 501015-34-5

:

(βS)-2,4-Dichloro-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenepropanoic acid

Description:
(βS)-2,4-Dichloro-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenepropanoic acid, with CAS number 501015-34-5, is a synthetic organic compound characterized by its complex structure, which includes a dichlorobenzene moiety and a fluorenylmethoxycarbonyl (Fmoc) protecting group. This compound typically exhibits properties such as being a solid at room temperature, with potential solubility in organic solvents like dimethyl sulfoxide (DMSO) and limited solubility in water due to its hydrophobic fluorenyl group. The presence of the dichloro substituents suggests that it may participate in electrophilic aromatic substitution reactions, while the Fmoc group indicates its use in peptide synthesis as a protecting group for amino acids. Additionally, the compound may exhibit biological activity, potentially serving as a pharmaceutical intermediate or a research tool in medicinal chemistry. Its stereochemistry, indicated by the (βS) designation, suggests specific spatial arrangements that could influence its reactivity and interactions with biological targets.
Formula:C24H19Cl2NO4
InChI:InChI=1S/C24H19Cl2NO4/c25-14-9-10-19(21(26)11-14)22(12-23(28)29)27-24(30)31-13-20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-11,20,22H,12-13H2,(H,27,30)(H,28,29)/t22-/m0/s1
InChI key:InChIKey=GQCANHDOGYQXNY-QFIPXVFZSA-N
SMILES:C(OC(N[C@@H](CC(O)=O)C1=C(Cl)C=C(Cl)C=C1)=O)C2C=3C(C=4C2=CC=CC4)=CC=CC3
Synonyms:
  • Fmoc-(S)-3-Amino-3-(2,4-Dichloro-Phenyl)-Propionic Acid
  • Benzenepropanoic acid, 2,4-dichloro-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (βS)-
  • (βS)-2,4-Dichloro-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenepropanoic acid
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