4-tert-Butylphenylboronic acid MIDA ester

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Molecular Formula:

C15H20BNO4

Molecular Weight:

289.13

Product Information

Molecular Formula:

C15H20BNO4

Molecular Weight:

289.13

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-[4-(tert-Butyl)phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

IUPAC Name

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

Canonical SMILES

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

InChI

InChI=1S/C15H20BNO4/c1-15(2,3)11-5-7-12(8-6-11)16-20-13(18)9-17(4)10-14(19)21-16/h5-8H,9-10H2,1-4H3

InChI Key

XERUPHPEYRSGRY-UHFFFAOYSA-N

Melting Point

255-260 °C

Flash Point

Not applicable

Purity

95%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

289.1485383 g/mol

Monoisotopic Mass

289.1485383 g/mol

Topological Polar Surface Area

55.8Å²

Heavy Atom Count

Formal Charge

Complexity

379

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-tert-Butylphenylboronic acid MIDA ester

Product Information

Computed Properties

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