(E)-4-Methoxystyrylboronic Acid

Inquiry

Molecular Formula:

C9H11O3B

Molecular Weight:

177.99

CAS Number:

72316-18-8

Catalog Number:

72316-18-8

Product Information

Molecular Formula:

C9H11O3B

Molecular Weight:

177.99

Description

Reactant involved in: Enantioselective conjugate addition reactions with indole-appended enones; Liebeskind-Srogl cross-coupling reactions; Petasis asymmetric dihydroxylation for synthesis of (dihydroxy)homotyrosines; Copper-catalyzed trifluoromethylation; Asymmetric Michael addition with hydroxycinnamaldehydes; Cobalt-catalyzed coupling for synthesis of phenylbutenylheteroarenes.

Synonyms

[(E)-2-(4-methoxyphenyl)ethenyl]boronic acid; [(E)-2-(4-methoxyphenyl)ethenyl]boronic acid

IUPAC Name

[(E)-2-(4-methoxyphenyl)ethenyl]boronic acid

Canonical SMILES

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

InChI

InChI=1S/C9H11BO3/c1-13-9-4-2-8(3-5-9)6-7-10(11)12/h2-7,11-12H,1H3/b7-6+

InChI Key

LGSBCAPDUJYMOQ-VOTSOKGWSA-N

Melting Point

140-144 °C

Flash Point

Not applicable

Purity

≥ 95 %

Appearance

White to off-white to light gray powder or crystalline powder

LogP

0.72040

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

178.0801244 g/mol

Monoisotopic Mass

178.0801244 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

162

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)-4-Methoxystyrylboronic Acid

Product Information

Computed Properties

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