3-Methyl-2-buten-2-ylboronic acid pinacol ester

Inquiry

Molecular Formula:

C11H21BO2

Molecular Weight:

196.09

CAS Number:

219488-99-0

Catalog Number:

219488-99-0

Product Information

Molecular Formula:

C11H21BO2

Molecular Weight:

196.09

Description

3-Methyl-2-buten-2-ylboronic acid pinacol ester is a chemical compound widely used in the biomedical industry. It plays a crucial role in the synthesis of various drugs, particularly those used for treating specific diseases. With its unique structure and reactivity, this ester is utilized in the production of targeted pharmaceutical compounds that aid in combating various ailments.

Synonyms

4,4,5,5-tetramethyl-2-(3-methylbut-2-en-2-yl)-1,3,2-dioxaborolane; 2-(1,2-dimethyl-1-propen-1-yl)-4,4,5,5-tetramethyl-1,3,2-Dioxaborolane; 3-Methyl-2-buten-2-ylboronic acid pinacol ester, 95%; 2-(1,2-dimethyl-1-propenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

IUPAC Name

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

Canonical SMILES

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

InChI

InChI=1S/C11H21BO2/c1-8(2)9(3)12-13-10(4,5)11(6,7)14-12/h1-7H3

InChI Key

LMHXDKYPKRJWKS-UHFFFAOYSA-N

Flash Point

160.0 °F

Purity

95%

Density

0.888 g/mL at 25 °C

Refractive Index

n20/D 1.450

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P302 + P352 - P305 + P351 + P338

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

247

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

Patents

Publication Number	Title	Priority Date
WO-2021146370-A1	Map4k1 inhibitors	2020-01-15
WO-2015095767-A1	Heterocyclic modulators of lipid synthesis and combinations thereof	2013-12-20
WO-2013096630-A1	Heteroaryls and uses thereof	2011-12-23
WO-2010136353-A1	Diketopyrrolopyrrole polymers for use in organic semiconductor devices	2009-05-27
US-2003032838-A1	Substituted diboron compounds	2000-07-07
US-6794529-B2	Substituted diboron compounds	2000-07-07
AU-1958500-A	Hydroboronation process	1998-11-06
AU-759642-B2	Hydroboronation process	1998-11-06
CA-2348486-A1	Hydroboronation process	1998-11-06
DE-69916308-T2	HYDROBORONATIONSVERFAHREN	1998-11-06

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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