9-Phenanthrenylboronic acid MIDA ester

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Molecular Formula:

C19H16BNO4

Molecular Weight:

333.15

Product Information

Molecular Formula:

C19H16BNO4

Molecular Weight:

333.15

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

6-Methyl-2-(9-phenanthrenyl)-1,3,6,2-dioxazaborocane-4,8-dione

IUPAC Name

6-methyl-2-phenanthren-9-yl-1,3,6,2-dioxazaborocane-4,8-dione

Canonical SMILES

B1(OC(=O)CN(CC(=O)O1)C)C2=CC3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C19H16BNO4/c1-21-11-18(22)24-20(25-19(23)12-21)17-10-13-6-2-3-7-14(13)15-8-4-5-9-16(15)17/h2-10H,11-12H2,1H3

InChI Key

RBVTWBFBGYNXBV-UHFFFAOYSA-N

Melting Point

268-271 °C

Flash Point

Not applicable

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

333.1172382 g/mol

Monoisotopic Mass

333.1172382 g/mol

Topological Polar Surface Area

55.8Å²

Heavy Atom Count

Formal Charge

Complexity

508

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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9-Phenanthrenylboronic acid MIDA ester

Product Information

Computed Properties

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