4-Ethynylphenylboronic acid pinacol ester

Inquiry

Molecular Formula:

C14H17BO2

Molecular Weight:

228.09

CAS Number:

1034287-04-1

Catalog Number:

1034287-04-1

Product Information

Molecular Formula:

C14H17BO2

Molecular Weight:

228.09

Description

4-Ethynylphenylboronic acid pinacol ester can be used:• For the functionalization of platinum nanoparticles to leverage their photoluminescence properties.• As an intermediate in the synthesis of covalent heterodyads of chlorophyll derivatives applicable as supramolecular light-harvesting systems.• As an intermediate in the preparation of F-18 radiolabeled galectin-3 inhibitors, which are used as surrogate positron emission tomography (PET) tracers of TD139 and GB1107.

Synonyms

2-(4-Ethynylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

IUPAC Name

2-(4-ethynylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C#C

InChI

InChI=1S/C14H17BO2/c1-6-11-7-9-12(10-8-11)15-16-13(2,3)14(4,5)17-15/h1,7-10H,2-5H3

InChI Key

LOVNTFMVZVIASV-UHFFFAOYSA-N

Melting Point

66-70 °C

Flash Point

Not applicable

Purity

95%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

228.1321599 g/mol

Monoisotopic Mass

228.1321599 g/mol

Topological Polar Surface Area

18.5Å²

Heavy Atom Count

Formal Charge

Complexity

315

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
US-2022056167-A1	Functionalized Cyclic Polymers and Methods of Preparing Same	2019-05-01
EP-3625218-A1	Process for hydrocyanation of terminal alkynes	2017-05-17
US-2020181068-A1	Process for hydrocyanation of terminal alkynes	2017-05-17
WO-2018210631-A1	Process for hydrocyanation of terminal alkynes	2017-05-17
US-10947186-B2	Process for hydrocyanation of terminal alkynes	2017-05-17
CA-2750353-A1	Method for manufacturing a boronic acid ester compound	2009-03-24
EP-2411398-A1	Method for manufacturing a boronic acid ester compound	2009-03-24
EP-2411398-B1	Method for manufacturing a boronic acid ester compound	2009-03-24
ES-2527046-T3	Method for the preparation of a boronic acid ester compound	2009-03-24
JP-2012521420-A	Method for producing boronic acid ester compound	2009-03-24

The molarity calculator equation

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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4-Ethynylphenylboronic acid pinacol ester

Product Information

Computed Properties

Patents

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