Description

Ethyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl)acetate (CAS: 1166829-70-4) is a high-purity boronic ester derivative with the molecular formula C₁₆H₂₇BO₄. This compound features a cyclohexene ring functionalized with an ethyl acetate group and a 4,4,5,5-tetramethyl-1,3,2-dioxaborolane moiety, making it a versatile intermediate in organic synthesis and medicinal chemistry. Its stable dioxaborolane group is particularly useful in Suzuki-Miyaura cross-coupling reactions, enabling the formation of carbon-carbon bonds under mild conditions. Ideal for researchers and pharmaceutical developers, this reagent is supplied with rigorous QC validation to ensure consistency in reactivity and yield. Store under inert conditions to maintain stability.

Properties

• CAS Number: 1166829-70-4
• Complexity: 412
• IUPAC Name: ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]acetate
• InChI: InChI=1S/C16H27BO4/c1-6-19-14(18)11-12-7-9-13(10-8-12)17-20-15(2,3)16(4,5)21-17/h9,12H,6-8,10-11H2,1-5H3
• InChI Key: QIAHVZXOVXLJRI-UHFFFAOYSA-N
• Exact Mass: 294.2002395
• Molecular Formula: C16H27BO4
• Molecular Weight: 294.2
• SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CCC(CC2)CC(=O)OCC
• Topological: 44.8
• Monoisotopic Mass: 294.2002395
• Synonyms: 1166829-70-4, ethyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl)acetate, ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]acetate, ethyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-enyl)acetate, Ethyl-2-(4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3- enyl)acetate, MFCD18383324, Ethyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-enyl)acetate, Bpin-Cyclohexene-C-COOEt, SCHEMBL2254588, QIAHVZXOVXLJRI-UHFFFAOYSA-N, 4-(2-Ethoxy-2-oxoethyl)-1-cyclohexene-1-boronic Acid Pinacol Ester, AKOS030631955, HY-W063924, PB39708, AS-55300, DA-34524, SY232358, CS-0055778, A1-09989, ethyl2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl)acetate

Application

This compound is widely used as a key intermediate in Suzuki-Miyaura cross-coupling reactions for the synthesis of biaryl and heteroaryl compounds. It is also employed in the preparation of bioactive molecules and pharmaceutical candidates due to its reactive boronic ester functionality. Researchers utilize it in the development of novel materials, such as organic electronic components and liquid crystals. Its stability and reactivity make it suitable for both academic and industrial applications.

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