4-Methylpyridine-3-boronic acid MIDA ester

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Molecular Formula:

C11H13BN2O4

Molecular Weight:

248.04

Product Information

Molecular Formula:

C11H13BN2O4

Molecular Weight:

248.04

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

IUPAC Name

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

Canonical SMILES

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

InChI

InChI=1S/C11H13BN2O4/c1-8-3-4-13-5-9(8)12-17-10(15)6-14(2)7-11(16)18-12/h3-5H,6-7H2,1-2H3

InChI Key

GBBNAGRLIVKTEN-UHFFFAOYSA-N

Melting Point

242-246 °C

Flash Point

Not applicable

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P302 + P352 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

248.0968371 g/mol

Monoisotopic Mass

248.0968371 g/mol

Topological Polar Surface Area

68.7Å²

Heavy Atom Count

Formal Charge

Complexity

319

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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4-Methylpyridine-3-boronic acid MIDA ester

Product Information

Safety Information

Computed Properties

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