cis-2-Bromovinylboronic acid MIDA ester

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Product Information

Molecular Formula:
C7H9BBrNO4
Molecular Weight:
261.87
Description
The (Z)-(2-Bromovinyl)-MIDA boronate is a unique building block for the incorporation of cis-olefin for small molecule synthesis. Burke and coworkers have displayed the extreme versatility of this building block in the construction of polyene-containing natural product motifs.
Synonyms
MIDA006
IUPAC Name
1-[(Z)-2-bromoethenyl]-5-methyl-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)C=CBr
InChI
InChI=1S/C7H9BBrNO4/c1-10-4-6(11)13-8(10,2-3-9)14-7(12)5-10/h2-3H,4-5H2,1H3/b3-2-
InChI Key
AYYUZOQBVAPABR-IHWYPQMZSA-N
Melting Point
153-159 °C (Decomp.)
Flash Point
Not applicable
Purity
90%
Storage
−20°C

Safety Information

Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
1
Exact Mass
260.98080 g/mol
Monoisotopic Mass
260.98080 g/mol
Topological Polar Surface Area
52.6Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
323
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
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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