2-Iodopyridine-3-boronic acid MIDA ester

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Molecular Formula:

C10H10BIN2O4

Molecular Weight:

359.91

Product Information

Molecular Formula:

C10H10BIN2O4

Molecular Weight:

359.91

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

1-(2-iodopyridin-3-yl)-5-methyl-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octane-3,7-dione

Canonical SMILES

[B-]12([N+](CC(=O)O1)(CC(=O)O2)C)C3=C(N=CC=C3)I

InChI

InChI=1S/C10H10BIN2O4/c1-14-5-8(15)17-11(14,18-9(16)6-14)7-3-2-4-13-10(7)12/h2-4H,5-6H2,1H3

InChI Key

BKKUMFIWXKJUSJ-UHFFFAOYSA-N

Melting Point

222-234 °C (decomposition)

Flash Point

Not applicable

Purity

95%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

359.97783 g/mol

Monoisotopic Mass

359.97783 g/mol

Topological Polar Surface Area

65.5Å²

Heavy Atom Count

Formal Charge

Complexity

399

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-Iodopyridine-3-boronic acid MIDA ester

Product Information

Computed Properties

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