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CAS 1309981-29-0

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1,1-Dimethylethyl N-[5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate

Description:
1,1-Dimethylethyl N-[5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate, identified by its CAS number 1309981-29-0, is a chemical compound characterized by its complex structure, which includes a pyridine ring, a carbamate functional group, and a boron-containing moiety. This compound is notable for its potential applications in medicinal chemistry, particularly in the development of pharmaceuticals due to the presence of the fluorine atom, which can enhance biological activity and lipophilicity. The tetramethyl-1,3,2-dioxaborolane group contributes to its stability and reactivity, making it a candidate for various chemical reactions, including those involving boron chemistry. The presence of the dimethyl group provides steric hindrance, which can influence the compound's interaction with biological targets. Overall, this compound exemplifies the intricate design often found in drug development, where specific functional groups are strategically incorporated to optimize efficacy and selectivity.
Formula:C16H24BFN2O4
InChI:InChI=1S/C16H24BFN2O4/c1-14(2,3)22-13(21)20-12-11(8-10(18)9-19-12)17-23-15(4,5)16(6,7)24-17/h8-9H,1-7H3,(H,19,20,21)
InChI key:InChIKey=ZDMKDMKSPFFLNM-UHFFFAOYSA-N
SMILES:N(C(OC(C)(C)C)=O)C1=C(B2OC(C)(C)C(C)(C)O2)C=C(F)C=N1
Synonyms:
  • 1,1-Dimethylethyl N-[5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate
  • Carbamic acid, N-[5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-, 1,1-dimethylethyl ester
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