1314136-00-9

Basic information

• Product Name: 3-Methyl-benzo[d]isoxazole-5-boronic acid pinacol ester
• Synonyms: 3-Methyl-benzo[d]isoxazole-5-boronic acid pinacol ester;3-Hydroxy-2,3-dimethylbutan-2-yl hydrogen (3-methylbenzo[d]isoxazol-5-yl)boronate;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]isoxazole
• CAS NO: 1314136-00-9
• Molecular Formula: C₁₄H₁₈BNO₃
• Molecular Weight: 277.1239
• Mol File: 1314136-00-9.mol
• Article Data: 2

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 3-Methyl-benzo[d]isoxazole-5-boronic acid pinacol ester(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Methyl-benzo[d]isoxazole-5-boronic acid pinacol ester(1314136-00-9)
• EPA Substance Registry System: 3-Methyl-benzo[d]isoxazole-5-boronic acid pinacol ester(1314136-00-9)

Safety Data

• Hazardous Substances Data: 1314136-00-9(Hazardous Substances Data)

Usage

General Description

3-Methyl-benzo[d]isoxazole-5-boronic acid pinacol ester is a chemical compound that is commonly used in organic synthesis and medicinal chemistry. It contains a boronic acid group, which makes it useful for the formation of carbon-carbon and carbon-heteroatom bonds. The pinacol ester moiety enhances the stability and solubility of the compound, making it easier to handle in a laboratory setting. This chemical has potential applications in the development of pharmaceuticals, agrochemicals, and materials science due to its versatile reactivity and ability to participate in various types of chemical reactions. Additionally, its unique structure and properties make it a valuable building block for the synthesis of complex organic molecules.

Upstream product

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Relevant articles and documents

Derisking the Cu-Mediated 18F-Fluorination of Heterocyclic Positron Emission Tomography Radioligands

Molecules labeled with fluorine-18 (18F) are used in positron emission tomography to visualize, characterize and measure biological processes in the body. Despite recent advances in the incorporation of 18F onto arenes, the development of general and efficient approaches to label radioligands necessary for drug discovery programs remains a significant task. This full account describes a derisking approach toward the radiosynthesis of heterocyclic positron emission tomography (PET) radioligands using the copper-mediated 18F-fluorination of aryl boron reagents with 18F-fluoride as a model reaction. This approach is based on a study examining how the presence of heterocycles commonly used in drug development affects the efficiency of 18F-fluorination for a representative aryl boron reagent, and on the labeling of more than 50 (hetero)aryl boronic esters. This set of data allows for the application of this derisking strategy to the successful radiosynthesis of seven structurally complex pharmaceutically relevant heterocycle-containing molecules.