2,4-Difluorophenylboronic acid MIDA ester

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Product Information

Molecular Formula:
C11H10BF2NO4
Molecular Weight:
269.01
Description
Protected boronic acid with methylimindodiacetic acid (MIDA) that does not react under standard Suzuki-Miyuara coupling conditions, allowing for selective and iterative cross-coupling sequences. The MIDA boronate also provides prolonged shelf life and stability to typically unstable boronic acid derivatives.MIDA Boronates
Synonyms
2-(2,4-Difluorophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
IUPAC Name
2-(2,4-difluorophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
Canonical SMILES
B1(OC(=O)CN(CC(=O)O1)C)C2=C(C=C(C=C2)F)F
InChI
InChI=1S/C11H10BF2NO4/c1-15-5-10(16)18-12(19-11(17)6-15)8-3-2-7(13)4-9(8)14/h2-4H,5-6H2,1H3
InChI Key
AFNQHENRIQSJMU-UHFFFAOYSA-N
Melting Point
199-201 °C
Flash Point
Not applicable
Purity
97%

Safety Information

Hazards
H315 - H319 - H335
Precautionary Statement
P261 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
1
Exact Mass
269.0670943 g/mol
Monoisotopic Mass
269.0670943 g/mol
Topological Polar Surface Area
55.8Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
351
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)

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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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