5-Formyl-2-furanboronic acid MIDA ester

Inquiry

Molecular Formula:

C10H10BNO6

Molecular Weight:

251.00

CAS Number:

1104637-03-7

Catalog Number:

1104637-03-7

Product Information

Molecular Formula:

C10H10BNO6

Molecular Weight:

251.00

Description

MIDA boronates as stable boronic acid surrogates for classically challenging cross-couplingsSuzuki Cross-Coupling with MIDA Boronates.

Synonyms

5-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)furan-2-carbaldehyde

IUPAC Name

5-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)furan-2-carbaldehyde

Canonical SMILES

B1(OC(=O)CN(CC(=O)O1)C)C2=CC=C(O2)C=O

InChI

InChI=1S/C10H10BNO6/c1-12-4-9(14)17-11(18-10(15)5-12)8-3-2-7(6-13)16-8/h2-3,6H,4-5H2,1H3

InChI Key

TXJROHJTTRUYBQ-UHFFFAOYSA-N

Melting Point

238-240 °C

Purity

97 % (H-NMR)

LogP

-1.24300

Safety Information

Hazards

H302-H317

Precautionary Statement

P280

Signal Word

Warning

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

251.0601172 g/mol

Monoisotopic Mass

251.0601172 g/mol

Topological Polar Surface Area

86Å²

Heavy Atom Count

Formal Charge

Complexity

342

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
WO-2019038362-A1	ANTIBACTERIAL PYRROLOIMIDAZOLONES	2017-08-24

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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