Description

(3,3-Dimethyl-6-oxocyclohex-1-en-1-yl)boronic acid (CAS No. 221006-68-4) is a highly specialized boronic acid derivative with the molecular formula C₈H₁₃BO₃. This compound features a cyclohexenone scaffold substituted with a boronic acid functional group at the 1-position and two methyl groups at the 3-position, offering unique reactivity for cross-coupling reactions and other synthetic transformations. With a purity optimized for research and industrial applications, this reagent is ideal for Suzuki-Miyaura coupling, a cornerstone methodology in pharmaceutical and materials science research. The compound is supplied as a stable solid, ensuring consistent performance in organic synthesis. Store under inert conditions to maintain integrity.

Properties

• CAS Number: 221006-68-4
• Complexity: 230
• IUPAC Name: (3,3-dimethyl-6-oxo-cyclohexen-1-yl)boronic acid
• InChI: InChI=1S/C8H13BO3/c1-8(2)4-3-7(10)6(5-8)9(11)12/h5,11-12H,3-4H2,1-2H3
• InChI Key: LMARAEULVSDJBH-UHFFFAOYSA-N
• Exact Mass: 168.0957744
• Molecular Formula: C8H13BO3
• Molecular Weight: 168.00
• SMILES: B(C1=CC(CCC1=O)(C)C)(O)O
• Topological: 57.5
• Monoisotopic Mass: 168.0957744
• Synonyms: 221006-68-4, (3,3-Dimethyl-6-oxocyclohex-1-en-1-yl)boronic acid, 3,3-DIMETHYL-6-OXOCYCLOHEX-1-ENYLBORONIC ACID, (3,3-dimethyl-6-oxocyclohexen-1-yl)boronic acid, MFCD18311846, (3,3-Dimethyl-6-oxocyclohex-1-en-1-yl)boronicacid, SCHEMBL5839389, DTXSID00435959, AKOS006317466, BS-27835, DB-356582, CS-0174270

Application

(3,3-Dimethyl-6-oxocyclohex-1-en-1-yl)boronic acid is a versatile building block in organic synthesis, particularly in the construction of complex cyclic frameworks via Suzuki-Miyaura cross-coupling reactions. Its application extends to medicinal chemistry, where it serves as a precursor for bioactive molecules targeting enzyme inhibition or receptor modulation. Researchers also utilize this compound in materials science for the development of functionalized polymers and advanced organic electronic materials.

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