2,6-Dimethylphenylboronic acid MIDA ester

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Molecular Formula:

C13H16BNO4

Molecular Weight:

261.08

Product Information

Molecular Formula:

C13H16BNO4

Molecular Weight:

261.08

Description

Suzuki Cross-Coupling with MIDA Boronates

IUPAC Name

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

Canonical SMILES

B1(OC(=O)CN(CC(=O)O1)C)C2=C(C=CC=C2C)C

InChI

InChI=1S/C13H16BNO4/c1-9-5-4-6-10(2)13(9)14-18-11(16)7-15(3)8-12(17)19-14/h4-6H,7-8H2,1-3H3

InChI Key

DFYUBULBBZGRLF-UHFFFAOYSA-N

Melting Point

217-222 °C

Flash Point

Not applicable

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

261.1172382 g/mol

Monoisotopic Mass

261.1172382 g/mol

Topological Polar Surface Area

55.8Å²

Heavy Atom Count

Formal Charge

Complexity

333

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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2,6-Dimethylphenylboronic acid MIDA ester

Product Information

Computed Properties

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