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CAS 863868-33-1

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4-(Methylthio)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

Description:
4-(Methylthio)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile, with CAS number 863868-33-1, is an organic compound characterized by its complex structure that includes a benzonitrile moiety and a boron-containing dioxaborolane group. This compound typically exhibits properties associated with both aromatic and organoboron compounds, such as stability under standard conditions and potential reactivity in cross-coupling reactions, which are valuable in synthetic organic chemistry. The presence of the methylthio group can influence its electronic properties and solubility, while the dioxaborolane unit may facilitate coordination with other nucleophiles or electrophiles. Additionally, compounds like this are often explored for applications in materials science, particularly in the development of organic semiconductors or as intermediates in the synthesis of more complex molecules. Its unique combination of functional groups suggests potential utility in various chemical reactions, including those involving carbon-carbon bond formation.
Formula:C14H18BNO2S
InChI:InChI=1S/C14H18BNO2S/c1-13(2)14(3,4)18-15(17-13)11-8-10(9-16)6-7-12(11)19-5/h6-8H,1-5H3
InChI key:InChIKey=DDDVYWYCRBNYOR-UHFFFAOYSA-N
SMILES:S(C)C1=C(C=C(C#N)C=C1)B2OC(C)(C)C(C)(C)O2
Synonyms:
  • Benzonitrile, 4-(methylthio)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
  • 4-(Methylthio)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
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