5-Formyl-2-furanboronic acid MIDA ester

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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
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
0
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
2
Exact Mass
251.0601172 g/mol
Monoisotopic Mass
251.0601172 g/mol
Topological Polar Surface Area
86Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
342
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

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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