3-Methoxycarbonylphenylboronic acid MIDA ester

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Molecular Formula:

C13H14BNO6

Molecular Weight:

291.06

Product Information

Molecular Formula:

C13H14BNO6

Molecular Weight:

291.06

Description

Suzuki Cross-Coupling with MIDA Boronates

Synonyms

Methyl 3-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl) benzoate

IUPAC Name

methyl 3-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzoate

Canonical SMILES

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

InChI

InChI=1S/C13H14BNO6/c1-15-7-11(16)20-14(21-12(17)8-15)10-5-3-4-9(6-10)13(18)19-2/h3-6H,7-8H2,1-2H3

InChI Key

CXKQXSCYYBJVTQ-UHFFFAOYSA-N

Melting Point

265-270 °C

Flash Point

Not applicable

Purity

97%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

291.0914173 g/mol

Monoisotopic Mass

291.0914173 g/mol

Topological Polar Surface Area

82.1Å²

Heavy Atom Count

Formal Charge

Complexity

409

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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3-Methoxycarbonylphenylboronic acid MIDA ester

Product Information

Computed Properties

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