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3-(1,3-Dioxolan-2-yl)phenylboronic acid pinacol ester

3-(1,3-Dioxolan-2-yl)phenylboronic acid pinacol ester

Inquiry

Molecular Formula:

C15H21BO4

Molecular Weight:

276.14

CAS Number:

1257648-34-2

Catalog Number:

1257648-34-2

Product Information

Molecular Formula:

C15H21BO4

Molecular Weight:

276.14

Description

3-(1,3-Dioxolan-2-yl)phenylboronic acid pinacol ester is a pharmaceutical intermediate used in the biomedical industry. It is utilized in the synthesis of boron-containing compounds, such as boronic acids and esters. These compounds show potential therapeutic applications in drug development studies for a variety of diseases, including cancer, diabetes, and inflammatory diseases.

Synonyms

2-(3-(1,3-dioxolan-2-yl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

IUPAC Name

2-[3-(1,3-dioxolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C3OCCO3

InChI

InChI=1S/C15H21BO4/c1-14(2)15(3,4)20-16(19-14)12-7-5-6-11(10-12)13-17-8-9-18-13/h5-7,10,13H,8-9H2,1-4H3

InChI Key

SVIZIDROXRZRQS-UHFFFAOYSA-N

Melting Point

45-50 °C

Flash Point

230.0 °F - closed cup

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

276.1532893 g/mol

Monoisotopic Mass

276.1532893 g/mol

Topological Polar Surface Area

36.9Å²

Heavy Atom Count

Formal Charge

Complexity

336

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Concentration _(final)

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3-(1,3-Dioxolan-2-yl)phenylboronic acid pinacol ester

Product Information

Computed Properties

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