3-Methoxyphenylboronic acid MIDA ester

Inquiry

Molecular Formula:

C12H14BNO5

Molecular Weight:

263.05

CAS Number:

1104636-71-6

Catalog Number:

1104636-71-6

Product Information

Molecular Formula:

C12H14BNO5

Molecular Weight:

263.05

Description

Suzuki Cross-Coupling with MIDA Boronates

Synonyms

2-(3-methoxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione; 3-Methoxyphenylboronic acid MIDA ester; 3-Methoxyphenylboronic acid MIDA ester, 97%

IUPAC Name

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

Canonical SMILES

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

InChI

InChI=1S/C12H14BNO5/c1-14-7-11(15)18-13(19-12(16)8-14)9-4-3-5-10(6-9)17-2/h3-6H,7-8H2,1-2H3

InChI Key

BIXVKIPQNJRPKQ-UHFFFAOYSA-N

Melting Point

201-207 °C

Purity

97%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

263.0965027 g/mol

Monoisotopic Mass

263.0965027 g/mol

Topological Polar Surface Area

65.1Å²

Heavy Atom Count

Formal Charge

Complexity

331

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)

Mass

Concentration

Volume

Molecular Weight *

Calculate

The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

Calculate

3-Methoxyphenylboronic acid MIDA ester

Product Information

Computed Properties

Related Products