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CAS 218608-99-2

:

(βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-fluorobenzenebutanoic acid

Description:
The chemical substance known as (βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-fluorobenzenebutanoic acid, with the CAS number 218608-99-2, is characterized by its complex structure that includes a fluorobenzene moiety and a butanoic acid functional group. This compound features a chiral center, indicated by the (βS) designation, which suggests that it exists in a specific stereoisomeric form. The presence of the dimethylethoxycarbonyl group indicates that it has protective characteristics, often used in synthetic organic chemistry to shield amine functionalities during reactions. The fluorine atom in the benzene ring can influence the compound's reactivity and biological activity, potentially enhancing lipophilicity and altering pharmacokinetic properties. This compound may be of interest in medicinal chemistry, particularly in the development of pharmaceuticals, due to its unique functional groups and stereochemistry. Its solubility, stability, and reactivity would depend on the specific conditions under which it is handled, including pH and solvent choice.
Formula:C15H20FNO4
InChI:InChI=1S/C15H20FNO4/c1-15(2,3)21-14(20)17-11(9-13(18)19)8-10-6-4-5-7-12(10)16/h4-7,11H,8-9H2,1-3H3,(H,17,20)(H,18,19)/t11-/m0/s1
InChI key:InChIKey=PUMMDCKRQRQFAD-NSHDSACASA-N
SMILES:[C@@H](CC1=C(F)C=CC=C1)(NC(OC(C)(C)C)=O)CC(O)=O
Synonyms:
  • (3S)-3-[(tert-butoxycarbonyl)amino]-4-(2-fluorophenyl)butanoic acid
  • (βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-fluorobenzenebutanoic acid
  • Benzenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-2-fluoro-, (βS)-
  • Boc-L-3-Amino-4-(2-fluorophenyl)-butyric acid
  • Boc-β-HoPhe(2-F)-OH
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