2,4-Difluorophenylboronic acid MIDA ester

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Molecular Formula:

C11H10BF2NO4

Molecular Weight:

269.01

Product Information

Molecular Formula:

C11H10BF2NO4

Molecular Weight:

269.01

Description

Protected boronic acid with methylimindodiacetic acid (MIDA) that does not react under standard Suzuki-Miyuara coupling conditions, allowing for selective and iterative cross-coupling sequences. The MIDA boronate also provides prolonged shelf life and stability to typically unstable boronic acid derivatives.MIDA Boronates

Synonyms

2-(2,4-Difluorophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

IUPAC Name

2-(2,4-difluorophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

Canonical SMILES

B1(OC(=O)CN(CC(=O)O1)C)C2=C(C=C(C=C2)F)F

InChI

InChI=1S/C11H10BF2NO4/c1-15-5-10(16)18-12(19-11(17)6-15)8-3-2-7(13)4-9(8)14/h2-4H,5-6H2,1H3

InChI Key

AFNQHENRIQSJMU-UHFFFAOYSA-N

Melting Point

199-201 °C

Flash Point

Not applicable

Purity

97%

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P261 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

269.0670943 g/mol

Monoisotopic Mass

269.0670943 g/mol

Topological Polar Surface Area

55.8Å²

Heavy Atom Count

Formal Charge

Complexity

351

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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2,4-Difluorophenylboronic acid MIDA ester

Product Information

Safety Information

Computed Properties

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