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CAS 1218790-51-2

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Ethyl 2-cyano-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-propenoate

Description:
Ethyl 2-cyano-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-propenoate is an organic compound characterized by its complex structure, which includes a cyano group, an ethyl ester, and a boron-containing moiety. The presence of the cyano group indicates potential reactivity, particularly in nucleophilic addition reactions. The ethyl ester contributes to its solubility in organic solvents, making it useful in various synthetic applications. The boron-containing group, specifically the tetramethyl-1,3,2-dioxaborolane, suggests potential utility in cross-coupling reactions, such as Suzuki coupling, which is valuable in the synthesis of complex organic molecules. This compound may exhibit interesting electronic properties due to the conjugated system formed by the propenoate and phenyl groups, potentially influencing its reactivity and interactions in chemical reactions. Overall, its unique structural features make it a candidate for applications in organic synthesis, medicinal chemistry, and materials science. However, specific handling and safety protocols should be observed due to the potential hazards associated with its components.
Formula:C18H22BNO4
InChI:InChI=1S/C18H22BNO4/c1-6-22-16(21)14(12-20)11-13-7-9-15(10-8-13)19-23-17(2,3)18(4,5)24-19/h7-11H,6H2,1-5H3
InChI key:InChIKey=DNALFJBPPFISJQ-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CC=C(C=C(C(OCC)=O)C#N)C=C2
Synonyms:
  • Ethyl 2-cyano-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-propenoate
  • 2-Propenoic acid, 2-cyano-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-, ethyl ester
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