4-Tolylboronic acid MIDA ester

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Molecular Formula:

C12H14BNO4

Molecular Weight:

247.05

CAS Number:

943552-01-0

Catalog Number:

943552-01-0

Product Information

Molecular Formula:

C12H14BNO4

Molecular Weight:

247.05

Description

Suzuki Cross-Coupling with MIDA Boronates

Synonyms

6-Methyl-2-p-tolyl-1,3,6,2-dioxazaborocane-4,8-dione

IUPAC Name

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

Canonical SMILES

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

InChI

InChI=1S/C12H14BNO4/c1-9-3-5-10(6-4-9)13-17-11(15)7-14(2)8-12(16)18-13/h3-6H,7-8H2,1-2H3

InChI Key

XXJWDGQXUAQEKD-UHFFFAOYSA-N

Melting Point

197-202 °C

Flash Point

Not applicable

Purity

97%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

247.1015881 g/mol

Monoisotopic Mass

247.1015881 g/mol

Topological Polar Surface Area

55.8Å²

Heavy Atom Count

Formal Charge

Complexity

308

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-Tolylboronic acid MIDA ester

Product Information

Computed Properties

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