6-Methyl-2-pyridinylboronic acid MIDA ester

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Molecular Formula:

C11H13BN2O4

Molecular Weight:

248.04

CAS Number:

1227700-42-6

Catalog Number:

1227700-42-6

Product Information

Molecular Formula:

C11H13BN2O4

Molecular Weight:

248.04

Description

MIDA Boronates as stable boronic acid surrogates for classically challenging cross-couplings.Suzuki Cross-Coupling with MIDA Boronates

Synonyms

2-(6-Methyl-2-pyridinyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione, 2-Methylpyridine-6-boronic acid MIDA ester, 6-Methylpyridine-2-boronic acid MIDA ester

IUPAC Name

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

Canonical SMILES

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

InChI

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

InChI Key

AHYYPYSUORBPCY-UHFFFAOYSA-N

Melting Point

264-268 °C

Purity

95%

Storage

2-8°C

Safety Information

Hazards

H315-H319

Precautionary Statement

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

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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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6-Methyl-2-pyridinylboronic acid MIDA ester

Product Information

Safety Information

Computed Properties

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