Description

2-Cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS No. 126689-01-8) is a high-purity boronic ester compound with the molecular formula C₉H₁₇BO₂. This organoboron reagent, also known as Cyclopropylboronic acid pinacol ester, is widely utilized in Suzuki-Miyaura cross-coupling reactions due to its stability and reactivity. The cyclopropyl moiety enhances its utility in the synthesis of complex pharmaceutical intermediates and agrochemicals. Our product is rigorously tested to ensure >98% purity (GC), with stringent quality control for moisture and heavy metal content. Supplied in amber glass vials under inert gas to prevent degradation, it is ideal for sensitive synthetic applications.

Properties

• CAS Number: 126689-01-8
• Complexity: 181
• IUPAC Name: 2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• InChI: InChI=1S/C9H17BO2/c1-8(2)9(3,4)12-10(11-8)7-5-6-7/h7H,5-6H2,1-4H3
• InChI Key: XGBMQBPLWXTEPM-UHFFFAOYSA-N
• Exact Mass: 168.1321599
• Molecular Formula: C9H17BO2
• Molecular Weight: 168.04
• SMILES: B1(OC(C(O1)(C)C)(C)C)C2CC2
• Topological: 18.5
• Monoisotopic Mass: 168.1321599
• Synonyms: 126689-01-8, 2-Cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, Cyclopropylboronic acid pinacol ester, DTXSID50374127, DTXCID90325158, 603-153-7, cyclopropylboronic acid, pinacol ester, 1,3,2-DIOXABOROLANE, 2-CYCLOPROPYL-4,4,5,5-TETRAMETHYL-, MFCD05663847, cyclopropyl boronic acid pinacol ester, (4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropane, 2-cyclopropyl-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane, SCHEMBL584593, Cyclopropylboronsaure-Pinacolester, BBL103777, SBB088131, STL557587, AKOS004119276, 2-Cyclopropylboronic acid pinacol ester, AB21938, CS-W007591, Cyclopropane-1-boronic acid pinacol ester, DS-14940, SY016142, Cyclopropylboronic acid pinacol ester, 96%, C2276, EN300-1706413

Application

2-Cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is a key intermediate in palladium-catalyzed cross-coupling reactions, enabling the introduction of cyclopropyl groups into aromatic systems. It is particularly valuable in medicinal chemistry for constructing cyclopropyl-containing bioactive molecules, such as protease inhibitors and CNS-targeting drugs. The compound’s stability under basic conditions makes it suitable for multi-step synthetic workflows.

Safety and Hazards

GHS Hazard Statements

• H226 (96.4%): Flammable liquid and vapor [Warning Flammable liquids]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (96.4%)

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