Cyclobutylboronic acid MIDA ester

Inquiry

Molecular Formula:

C9H14BNO4

Molecular Weight:

211.02

CAS Number:

1104637-37-7

Catalog Number:

1104637-37-7

Product Information

Molecular Formula:

C9H14BNO4

Molecular Weight:

211.02

Description

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

Synonyms

2-cyclobutyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione; CyclobutylboronicacidMIDAester; ZINC170163171; OR200965; 1104637-37-7

IUPAC Name

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

Canonical SMILES

B1(OC(=O)CN(CC(=O)O1)C)C2CCC2

InChI

InChI=1S/C9H14BNO4/c1-11-5-8(12)14-10(7-3-2-4-7)15-9(13)6-11/h7H,2-6H2,1H3

InChI Key

FRGMPYGRMJGPAV-UHFFFAOYSA-N

Melting Point

187-191 °C

Flash Point

Not applicable

Purity

95%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

211.1015881 g/mol

Monoisotopic Mass

211.1015881 g/mol

Topological Polar Surface Area

55.8Å²

Heavy Atom Count

Formal Charge

Complexity

259

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)

Mass

Concentration

Volume

Molecular Weight *

Calculate

The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

Calculate

Cyclobutylboronic acid MIDA ester

Product Information

Computed Properties

Related Products