(E)-(3-Fluorostyryl)boronic Acid

Name: (E)-(3-Fluorostyryl)boronic Acid
Brand: BOC Sciences
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Molecular Formula:

C8H8FO2B

Molecular Weight:

165.96

CAS Number:

849062-22-2

Catalog Number:

849062-22-2

Product Information

Molecular Formula:

C8H8FO2B

Molecular Weight:

165.96

Description

Reactant for: Enantioselective diastereoselective synthesis of tetracyclins via metal-catalyzed ring opening of meso-oxabicyclic alkenes followed by hydrogenation and Friedel-Crafts alkylation; Palladium-catalyzed Suzuki-Miyaura coupling reactions; Preparation of anticonvulsant agents; Preparation of piperazinyl pyrimidylhydroxamic acid deriatives as histone deacetylase inhibitors and antitumor agents; Preparation of ethyl-substituted conjugated dienoates and dienones by stereoselective Suzuki cross-coupling.

Synonyms

[(E)-2-(3-fluorophenyl)ethenyl]boronic acid; [(E)-2-(3-fluorophenyl)ethenyl]boronic acid

IUPAC Name

[(E)-2-(3-fluorophenyl)ethenyl]boronic acid

Canonical SMILES

B(C=CC1=CC(=CC=C1)F)(O)O

InChI

InChI=1S/C8H8BFO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,11-12H/b5-4+

InChI Key

ONXKUGHKGCSZJO-SNAWJCMRSA-N

Boiling Point

313.9 °C at 760 mmHg

Melting Point

184-186 °C (lit.)

Flash Point

Not applicable

Purity

≥ 95 %

Density

1.228 g/cm³

Appearance

Solid

LogP

0.85090

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

166.0601378 g/mol

Monoisotopic Mass

166.0601378 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

161

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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(E)-(3-Fluorostyryl)boronic Acid

Product Information

Computed Properties

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