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trans-2-(4-Chlorophenyl)vinylboronic acid pinacol ester

trans-2-(4-Chlorophenyl)vinylboronic acid pinacol ester

Inquiry

Molecular Formula:

C14H18BClO2

Molecular Weight:

264.56

CAS Number:

223919-54-8

Catalog Number:

223919-54-8

Product Information

Molecular Formula:

C14H18BClO2

Molecular Weight:

264.56

Description

trans-2-(4-Chlorophenyl)vinylboronic acid pinacol ester is a vital reagent employed in the biomedicine industry for synthesizing pharmaceuticals and drug intermediates. Its unique structure enables it to participate in various cross-coupling reactions, making it an invaluable tool in medicinal chemistry. Widely used for the preparation of boronic ester derivatives, it finds applications in the drug development of cancer, inflammatory disorders, and neurological diseases.

Synonyms

2-[2-(4-Chlorophenyl)vinyl]-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane,2-[(1E)-2-(4-Chlorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

IUPAC Name

2-[(E)-2-(4-chlorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C=CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H18BClO2/c1-13(2)14(3,4)18-15(17-13)10-9-11-5-7-12(16)8-6-11/h5-10H,1-4H3/b10-9+

InChI Key

CQJXSSVRGHRVOK-MDZDMXLPSA-N

Melting Point

88-92 °C

Flash Point

Not applicable

Purity

≥94%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

264.1088377 g/mol

Monoisotopic Mass

264.1088377 g/mol

Topological Polar Surface Area

18.5Å²

Heavy Atom Count

Formal Charge

Complexity

304

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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trans-2-(4-Chlorophenyl)vinylboronic acid pinacol ester

Product Information

Computed Properties

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