CAS 94839-08-4
:Diethyl B-1,3-benzodioxol-5-ylboronate
Description:
Diethyl B-1,3-benzodioxol-5-ylboronate is an organoboron compound characterized by its boronate ester structure, which includes a benzodioxole moiety. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and form. It is known for its utility in organic synthesis, particularly in the formation of carbon-carbon bonds through cross-coupling reactions, such as Suzuki-Miyaura coupling. The presence of the boronate group allows for the selective functionalization of various substrates, making it valuable in medicinal chemistry and materials science. Additionally, the benzodioxole structure contributes to its stability and reactivity, often enhancing its solubility in organic solvents. Safety data sheets indicate that, like many organoboron compounds, it should be handled with care, as it may pose health risks if ingested or inhaled. Overall, Diethyl B-1,3-benzodioxol-5-ylboronate is a versatile reagent in synthetic organic chemistry, facilitating the development of complex molecular architectures.
Formula:C11H15BO4
InChI:InChI=1S/C11H15BO4/c1-3-15-12(16-4-2)9-5-6-10-11(7-9)14-8-13-10/h5-7H,3-4,8H2,1-2H3
InChI key:InChIKey=VCZRHQOJRDVUOO-UHFFFAOYSA-N
SMILES:B(OCC)(OCC)C=1C=C2C(=CC1)OCO2
Synonyms:- Diethyl B-1,3-benzodioxol-5-ylboronate
- Boronic acid, B-1,3-benzodioxol-5-yl-, diethyl ester
- Boronic acid, 1,3-benzodioxol-5-yl-, diethyl ester
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