5-Bromo-2,2'-bithiophene-5-boronic acid MIDA ester

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Product Information

Molecular Formula:
C13H11BBrNO4S2
Molecular Weight:
400.08
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-(5'-Bromo-[2,2'-bithiophen]-5-yl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
IUPAC Name
2-[5-(5-bromothiophen-2-yl)thiophen-2-yl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
Canonical SMILES
B1(OC(=O)CN(CC(=O)O1)C)C2=CC=C(S2)C3=CC=C(S3)Br
InChI
InChI=1S/C13H11BBrNO4S2/c1-16-6-12(17)19-14(20-13(18)7-16)10-4-2-8(21-10)9-3-5-11(15)22-9/h2-5H,6-7H2,1H3
InChI Key
FNDOSCIRFUFXGS-UHFFFAOYSA-N
Melting Point
215-219 °C (decomposition)
Flash Point
Not applicable
Purity
95%

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
2
Exact Mass
398.94059 g/mol
Monoisotopic Mass
398.94059 g/mol
Topological Polar Surface Area
112Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
438
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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