Description

4-Bromo-1-butylboronic acid catechol ester (CAS No. 142172-51-8) is a highly specialized boronic acid derivative with the molecular formula C₁₀H₁₂BBrO₂. This compound, also known by its IUPAC name 2-(4-bromobutyl)-1,3,2-benzodioxaborole, is a valuable reagent in organic synthesis and pharmaceutical research. The catechol ester group enhances stability and reactivity, making it ideal for Suzuki-Miyaura cross-coupling reactions and other palladium-catalyzed transformations. Its bromobutyl moiety provides a versatile handle for further functionalization. This product is supplied as a high-purity solid, rigorously tested for quality and consistency, and is suitable for use in sensitive applications such as drug discovery and material science. Store under inert conditions to maintain stability.

Properties

• CAS Number: 142172-51-8
• Complexity: 166
• IUPAC Name: 2-(4-bromobutyl)-1,3,2-benzodioxaborole
• InChI: InChI=1S/C10H12BBrO2/c12-8-4-3-7-11-13-9-5-1-2-6-10(9)14-11/h1-2,5-6H,3-4,7-8H2
• InChI Key: OCRCQJNMXARNMQ-UHFFFAOYSA-N
• Exact Mass: 254.01137
• Molecular Formula: C10H12BBrO2
• Molecular Weight: 254.92
• SMILES: B1(OC2=CC=CC=C2O1)CCCCBr
• Topological: 18.5
• Monoisotopic Mass: 254.01137
• Synonyms: 4-Bromo-1-butylboronic acid catechol ester, 627-967-7, 2-(4-Bromobutyl)-1,3,2-benzodioxaborole, 142172-51-8, 2-(4-Bromobutyl)benzo[d][1,3,2]dioxaborole, 1,3,2-Benzodioxaborole, 2-(4-bromobutyl)-, MFCD01863716, SCHEMBL3420504, DTXSID70393678, OCRCQJNMXARNMQ-UHFFFAOYSA-N, AKOS015836141, AS-47611, CS-0175274, F14635, 2-(4-BROMOBUTYL)-1 3 2-BENZODIOXABOROLE, 4-Bromo-1-butylboronic acid catechol ester, 96%

Application

4-Bromo-1-butylboronic acid catechol ester is widely used as a key intermediate in the synthesis of complex organic molecules, particularly in pharmaceutical and agrochemical research. Its boronic ester functionality makes it a valuable building block for Suzuki-Miyaura cross-coupling reactions, enabling the formation of carbon-carbon bonds. This compound is also employed in the development of boron-containing polymers and advanced materials. Researchers utilize it for modifying bioactive compounds and probing reaction mechanisms in organoboron chemistry.

Safety and Hazards

GHS Hazard Statements

• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Precautionary Statements

• P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1B (100%)

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