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CAS 1093064-85-7

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1,1-Dimethylethyl 4-(4-bromophenyl)-4-fluoro-1-piperidinecarboxylate

Description:
1,1-Dimethylethyl 4-(4-bromophenyl)-4-fluoro-1-piperidinecarboxylate, identified by its CAS number 1093064-85-7, is a chemical compound characterized by its complex structure, which includes a piperidine ring substituted with a carboxylate group and additional aromatic and halogen functionalities. This compound features a tert-butyl group (1,1-dimethylethyl) that enhances its lipophilicity, potentially influencing its biological activity and solubility. The presence of a bromophenyl group introduces significant electronic effects, while the fluorine atom can affect the compound's reactivity and stability. Such structural characteristics suggest potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, where modifications to the piperidine core can lead to variations in pharmacological properties. The compound's synthesis and characterization would typically involve standard organic chemistry techniques, and its properties would be assessed through various analytical methods, including NMR, mass spectrometry, and chromatography, to confirm its identity and purity.
Formula:C16H21BrFNO2
InChI:InChI=1S/C16H21BrFNO2/c1-15(2,3)21-14(20)19-10-8-16(18,9-11-19)12-4-6-13(17)7-5-12/h4-7H,8-11H2,1-3H3
InChI key:InChIKey=IJAXYEOEPQQWCO-UHFFFAOYSA-N
SMILES:FC1(C2=CC=C(Br)C=C2)CCN(C(OC(C)(C)C)=O)CC1
Synonyms:
  • 1,1-Dimethylethyl 4-(4-bromophenyl)-4-fluoro-1-piperidinecarboxylate
  • 1-Piperidinecarboxylic acid, 4-(4-bromophenyl)-4-fluoro-, 1,1-dimethylethyl ester
  • tert-Butyl 4-(4-bromophenyl)-4-fluoropiperidine-1-carboxylate
  • 4-(4-Bromophenyl)-4-fluoro-1-piperidinecarboxylic Acid 1,1-Dimethylethyl Ester
  • tert-butyl 4-(4-bromophenyl)-4-fluoro-piperidine-1-carboxylate
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