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CAS 1029654-43-0

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2-Hydroxy-1,1,2-trimethylpropyl hydrogen B-(2-chloro-3-fluoro-4-pyridinyl)boronate

Description:
2-Hydroxy-1,1,2-trimethylpropyl hydrogen B-(2-chloro-3-fluoro-4-pyridinyl)boronate is a boronate ester that features a boron atom bonded to a hydroxyl group and a pyridinyl moiety. This compound is characterized by its boron-containing structure, which is often utilized in organic synthesis, particularly in cross-coupling reactions such as Suzuki-Miyaura coupling. The presence of the 2-chloro-3-fluoro-4-pyridinyl group suggests potential biological activity, as pyridine derivatives are commonly found in pharmaceuticals. The hydroxyl group contributes to its reactivity, allowing for further functionalization. Additionally, the trimethylpropyl group enhances its solubility and stability in various solvents. This compound may exhibit specific properties such as moderate polarity and potential for hydrogen bonding due to the hydroxyl group. Its unique structure and functional groups make it a valuable intermediate in the synthesis of more complex organic molecules, particularly in medicinal chemistry and agrochemical applications. As with many boron-containing compounds, it may also exhibit interesting coordination chemistry.
Formula:C11H16BClFNO3
InChI:InChI=1S/C11H16BClFNO3/c1-10(2,16)11(3,4)18-12(17)7-5-6-15-9(13)8(7)14/h5-6,16-17H,1-4H3
InChI key:InChIKey=FRMJQVXWBNKBNE-UHFFFAOYSA-N
SMILES:B(OC(C(C)(C)O)(C)C)(O)C=1C(F)=C(Cl)N=CC1
Synonyms:
  • Boronic acid, B-(2-chloro-3-fluoro-4-pyridinyl)-, mono(2-hydroxy-1,1,2-trimethylpropyl) ester
  • 2-Hydroxy-1,1,2-trimethylpropyl hydrogen B-(2-chloro-3-fluoro-4-pyridinyl)boronate
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