trans-1-Propenylboronic acid MIDA ester

Inquiry

Molecular Formula:

C8H12BNO4

Molecular Weight:

197.00

CAS Number:

1105069-15-5

Catalog Number:

1105069-15-5

Product Information

Molecular Formula:

C8H12BNO4

Molecular Weight:

197.00

Description

MIDA boronates as stable boronic acid surrogates for classically challenging cross-couplingsSuzuki Cross-Coupling with MIDA Boronates

Synonyms

6-methyl-2-[(Z)-prop-1-enyl]-1,3,6,2-dioxazaborocane-4,8-dione; cis-1-PropenylboronicacidMIDAester; ZINC170161405; cis-1-Propene-1-boronicacidMIDAester; cis-6-Methyl-2-(1-propenyl)-1,3,6,2-dioxazaborocane-4,8-dione; 1105069-15-5

IUPAC Name

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

Canonical SMILES

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

InChI

InChI=1S/C8H12BNO4/c1-3-4-9-13-7(11)5-10(2)6-8(12)14-9/h3-4H,5-6H2,1-2H3/b4-3-

InChI Key

PKQGENZEEBZVIL-ARJAWSKDSA-N

Melting Point

99-110 °C

Purity

95%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

197.0859380 g/mol

Monoisotopic Mass

197.0859380 g/mol

Topological Polar Surface Area

55.8Å²

Heavy Atom Count

Formal Charge

Complexity

246

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-1-Propenylboronic acid MIDA ester

Product Information

Computed Properties

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