3-Methylbut-2-enylboronic acid, pinacol ester

Inquiry

Molecular Formula:

C11H21BO2

Molecular Weight:

196.1

CAS Number:

141550-13-2

Catalog Number:

141550-13-2

Product Information

Molecular Formula:

C11H21BO2

Molecular Weight:

196.1

Description

3-Methylbut-2-enylboronic acid pinacol ester assumes a pivotal role as a fundamental constituent during the synthesis of pharmaceutical and agrochemical agents. Its unique structure and properties make it a potential compound in the field of drug discovery and development for cancer, diabetes and inflammatory diseases.

Synonyms

2-(3-Methyl-but-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

IUPAC Name

4,4,5,5-tetramethyl-2-(3-methylbut-2-enyl)-1,3,2-dioxaborolane

Canonical SMILES

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

InChI

InChI=1S/C11H21BO2/c1-9(2)7-8-12-13-10(3,4)11(5,6)14-12/h7H,8H2,1-6H3

InChI Key

QXDMQRNIDKVRCN-UHFFFAOYSA-N

Boiling Point

42-45 °C/0.6 mmHg

Flash Point

170.1 °F

Purity

95%

Density

0.885 g/mL at 25 °C

Storage

2-8°C

Refractive Index

n20/D 1.4395

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

196.1634601 g/mol

Monoisotopic Mass

196.1634601 g/mol

Topological Polar Surface Area

18.5Å²

Heavy Atom Count

Formal Charge

Complexity

224

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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3-Methylbut-2-enylboronic acid, pinacol ester

Product Information

Computed Properties

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