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

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

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Molecular Formula:

C11H12NO5B

Molecular Weight:

249.03

CAS Number:

1257724-90-5

Catalog Number:

1257724-90-5

Product Information

Molecular Formula:

C11H12NO5B

Molecular Weight:

249.03

Description

Suzuki Cross-Coupling with MIDA Boronates.

Synonyms

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

IUPAC Name

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

Canonical SMILES

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

InChI

InChI=1S/C11H12BNO5/c1-13-6-10(15)17-12(18-11(16)7-13)8-3-2-4-9(14)5-8/h2-5,14H,6-7H2,1H3

InChI Key

NZNGUMOTSLXTJB-UHFFFAOYSA-N

Melting Point

204-209 °C

Flash Point

Not applicable

Purity

97 %

LogP

-0.94290

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

249.0808526 g/mol

Monoisotopic Mass

249.0808526 g/mol

Topological Polar Surface Area

76.1Å²

Heavy Atom Count

Formal Charge

Complexity

317

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

Product Information

Safety Information

Computed Properties

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