Cyclopropylboronic acid MIDA ester

Inquiry

Molecular Formula:

C8H12BNO4

Molecular Weight:

197.00

CAS Number:

1104637-36-6

Catalog Number:

1104637-36-6

Product Information

Molecular Formula:

C8H12BNO4

Molecular Weight:

197.00

Description

MIDA boronates as stable boronic acid surrogates for classically challenging cross-couplingsRepresentative Applications of MIDA boronates

Synonyms

Cyclopropylboronic acid methyliminodiacetic acid anhydride

IUPAC Name

2-cyclopropyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

Canonical SMILES

B1(OC(=O)CN(CC(=O)O1)C)C2CC2

InChI

InChI=1S/C8H12BNO4/c1-10-4-7(11)13-9(6-2-3-6)14-8(12)5-10/h6H,2-5H2,1H3

InChI Key

LLXFTRDFBQZFSN-UHFFFAOYSA-N

Melting Point

183-193 °C

Flash Point

Not applicable

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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Cyclopropylboronic acid MIDA ester

Product Information

Computed Properties

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