2-Pyridinylboronic acid MIDA ester

Product Information

Molecular Formula:
C10H11BN2O4
Molecular Weight:
234.02
Description
MIDA boronates as stable boronic acid surrogates for classically challenging cross-couplings.Suzuki Cross-Coupling with MIDA Boronates
2-Pyridinylboronic acid MIDA ester represents the first and only example of an air-stable 2-pyridinyl boronate. This stable boronic acid surrogate is a powerful cross coupling partner, useful in the synthesis of pharmaceuticals, natural products, and complex molecules.
Synonyms
1-methyl-5-pyridin-2-yl-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octane-3,7-dione; 2-PyridinylboronicacidMIDAester; 1104637-58-2; MolPort-027-835-235; AKOS016009109; ZINC169810268
IUPAC Name
5-methyl-1-pyridin-2-yl-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octane-3,7-dione
Canonical SMILES
[B-]12([N+](CC(=O)O1)(CC(=O)O2)C)C3=CC=CC=N3
InChI
InChI=1S/C10H11BN2O4/c1-13-6-9(14)16-11(13,17-10(15)7-13)8-4-2-3-5-12-8/h2-5H,6-7H2,1H3
InChI Key
JCMMQAGYOWKSFX-UHFFFAOYSA-N
Flash Point
Not applicable
Purity
95%
Storage
2-8°C

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
1
Exact Mass
234.0811870 g/mol
Monoisotopic Mass
234.0811870 g/mol
Topological Polar Surface Area
65.5Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
367
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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