6-Methyl-2-pyridinylboronic acid MIDA ester

Product Information

Molecular Formula:
C11H13BN2O4
Molecular Weight:
248.04
Description
MIDA Boronates as stable boronic acid surrogates for classically challenging cross-couplings.Suzuki Cross-Coupling with MIDA Boronates
Synonyms
2-(6-Methyl-2-pyridinyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione, 2-Methylpyridine-6-boronic acid MIDA ester, 6-Methylpyridine-2-boronic acid MIDA ester
IUPAC Name
6-methyl-2-(6-methylpyridin-2-yl)-1,3,6,2-dioxazaborocane-4,8-dione
Canonical SMILES
B1(OC(=O)CN(CC(=O)O1)C)C2=NC(=CC=C2)C
InChI
InChI=1S/C11H13BN2O4/c1-8-4-3-5-9(13-8)12-17-10(15)6-14(2)7-11(16)18-12/h3-5H,6-7H2,1-2H3
InChI Key
AHYYPYSUORBPCY-UHFFFAOYSA-N
Melting Point
264-268 °C
Purity
95%
Storage
2-8°C

Safety Information

Hazards
H315-H319
Precautionary Statement
P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
1
Exact Mass
248.0968371 g/mol
Monoisotopic Mass
248.0968371 g/mol
Topological Polar Surface Area
68.7Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
319
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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