3-Methoxycarbonylphenylboronic acid MIDA ester

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Product Information

Molecular Formula
C13H14BNO6
Molecular Weight
291.06
Description
Suzuki Cross-Coupling with MIDA Boronates
Synonyms
Methyl 3-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl) benzoate
IUPAC Name
methyl 3-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzoate
SMILES
B1(OC(=O)CN(CC(=O)O1)C)C2=CC(=CC=C2)C(=O)OC
InChI
InChI=1S/C13H14BNO6/c1-15-7-11(16)20-14(21-12(17)8-15)10-5-3-4-9(6-10)13(18)19-2/h3-6H,7-8H2,1-2H3
InChI Key
CXKQXSCYYBJVTQ-UHFFFAOYSA-N
Melting Point
265-270 °C
Flash Point
Not applicable
Purity
97%

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
3
Exact Mass
291.0914173 g/mol
Monoisotopic Mass
291.0914173 g/mol
Topological Polar Surface Area
82.1Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
409
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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