trans-2-Phenylvinylboronic acid MIDA ester

Inquiry

Molecular Formula:

C13H14BNO4

Molecular Weight:

259.07

CAS Number:

1152427-93-4

Catalog Number:

1152427-93-4

Product Information

Molecular Formula:

C13H14BNO4

Molecular Weight:

259.07

Description

Suzuki Cross-Coupling with MIDA Boronates

Synonyms

6-Methyl-2-[(E)-2-phenylethenyl]-1,3,6,2-dioxazaborocane-4,8-dione; trans-2-PhenylvinylboronicacidMIDAester; trans-2-Phenylvinylboronic acid MIDA ester, 95%; 6-Methyl-2-styryl-1,3-dioxa-6-aza-2-boracyclooctane-4,8-dione

IUPAC Name

6-methyl-2-[(E)-2-phenylethenyl]-1,3,6,2-dioxazaborocane-4,8-dione

Canonical SMILES

B1(OC(=O)CN(CC(=O)O1)C)C=CC2=CC=CC=C2

InChI

InChI=1S/C13H14BNO4/c1-15-9-12(16)18-14(19-13(17)10-15)8-7-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3/b8-7+

InChI Key

OFLDLTAQNBBGGU-BQYQJAHWSA-N

Melting Point

185-195 °C

Flash Point

Not applicable

Purity

95%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

259.1015881 g/mol

Monoisotopic Mass

259.1015881 g/mol

Topological Polar Surface Area

55.8Å²

Heavy Atom Count

Formal Charge

Complexity

346

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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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trans-2-Phenylvinylboronic acid MIDA ester

Product Information

Computed Properties

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