3-Formylphenylboronic acid MIDA ester

Inquiry

Molecular Formula:

C12H12BNO5

Molecular Weight:

261.04

CAS Number:

1257642-72-0

Catalog Number:

1257642-72-0

Product Information

Molecular Formula:

C12H12BNO5

Molecular Weight:

261.04

Description

Suzuki Cross-Coupling with MIDA Boronates.

Synonyms

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

IUPAC Name

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

Canonical SMILES

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

InChI

InChI=1S/C12H12BNO5/c1-14-6-11(16)18-13(19-12(17)7-14)10-4-2-3-9(5-10)8-15/h2-5,8H,6-7H2,1H3

InChI Key

XEUKQFIKPZSUTP-UHFFFAOYSA-N

Melting Point

178-183 °C

Flash Point

Not applicable

Purity

97 %

LogP

-0.83600

Safety Information

Hazards

H302

Precautionary Statement

P264, P270, P301+P317, P330, and P501

Signal Word

Warning

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

261.0808526 g/mol

Monoisotopic Mass

261.0808526 g/mol

Topological Polar Surface Area

72.9Å²

Heavy Atom Count

Formal Charge

Complexity

355

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

Patents

Publication Number	Title	Priority Date
US-2016022675-A1	Processes for preparing tetrahydroisoquinolines	2013-03-14

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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