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CAS 863868-24-0

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

Description:
4-(Methylthio)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile, with CAS number 863868-24-0, is an organic compound characterized by its complex structure, which includes a benzonitrile moiety and a dioxaborolane group. The presence of the methylthio group enhances its reactivity and solubility in organic solvents. This compound is typically used in synthetic organic chemistry, particularly in the development of pharmaceuticals and agrochemicals, due to its potential as a building block in various chemical reactions, including cross-coupling reactions. The dioxaborolane unit is known for its ability to participate in boron-mediated transformations, making it valuable in the synthesis of complex molecules. Additionally, the compound's stability and functional groups allow for further modifications, which can lead to the creation of diverse derivatives. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper laboratory practices are followed.
Formula:C14H18BNO2S
InChI:InChI=1S/C14H18BNO2S/c1-13(2)14(3,4)18-15(17-13)12-8-11(19-5)7-6-10(12)9-16/h6-8H,1-5H3
InChI key:InChIKey=VOEJNBFZYJHHOZ-UHFFFAOYSA-N
SMILES:C(#N)C1=C(C=C(SC)C=C1)B2OC(C)(C)C(C)(C)O2
Synonyms:
  • 4-(Methylthio)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
  • Benzonitrile, 4-(methylthio)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
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