(2-(Phenoxycarbonyl)phenyl)boronic acid

Inquiry

Molecular Formula:

C13H11BO4

Molecular Weight:

242.04

CAS Number:

2211934-51-7

Catalog Number:

2211934-51-7

Product Information

Molecular Formula:

C13H11BO4

Molecular Weight:

242.04

Description

(2-(Phenoxycarbonyl)phenyl)boronic acid is a boronic acid catalyst from the Hall Group developed for chemoselective activation of oxime N−OH bonds for the preparation of functionalized amide compounds via Beckmann Rearrangement. This catalyst is efficient to transform various diaryl, aryl-alkyl, heteroaryl-alkyl, and dialkyl oximes to amide products under ambient conditions.

IUPAC Name

(2-phenoxycarbonylphenyl)boronic acid

Canonical SMILES

B(C1=CC=CC=C1C(=O)OC2=CC=CC=C2)(O)O

InChI

InChI=1S/C13H11BO4/c15-13(18-10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9,16-17H

InChI Key

AUGBWBXAUSLNIT-UHFFFAOYSA-N

Melting Point

150-152 °C

Flash Point

Not applicable

Purity

≥95%

Storage

2-8°C

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

242.0750390 g/mol

Monoisotopic Mass

242.0750390 g/mol

Topological Polar Surface Area

66.8Å²

Heavy Atom Count

Formal Charge

Complexity

276

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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(2-(Phenoxycarbonyl)phenyl)boronic acid

Product Information

Computed Properties

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