4-(Phenylethynyl)phenylboronic acid pinacol ester

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Molecular Formula:

C20H21BO2

Molecular Weight:

304.19

CAS Number:

1190376-20-5

Catalog Number:

1190376-20-5

Product Information

Molecular Formula:

C20H21BO2

Molecular Weight:

304.19

Description

4-(Phenylethynyl)phenylboronic acid pinacol ester is a pivotal compound in the biomedical sector and exhibits extraordinary versatility as a foundational unit in the fabrication of pharmaceuticals and bioactive agents. This product assumes an imperative function in advancing therapeutic interventions for multifarious ailments encompassing cancer, diabetes, and inflammation. By facilitating the generation of innovative chemical architectures with augmented therapeutic attributes, its significance in drug development is unparalleled.

Synonyms

4,4,5,5-Tetramethyl-2-(4-phenylethynyl-phenyl)-[1,3,2]dioxaborolane

IUPAC Name

4,4,5,5-tetramethyl-2-[4-(2-phenylethynyl)phenyl]-1,3,2-dioxaborolane

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C#CC3=CC=CC=C3

InChI

InChI=1S/C20H21BO2/c1-19(2)20(3,4)23-21(22-19)18-14-12-17(13-15-18)11-10-16-8-6-5-7-9-16/h5-9,12-15H,1-4H3

InChI Key

AAIDERXZGJSORP-UHFFFAOYSA-N

Melting Point

96-100 °C

Flash Point

Not applicable

Purity

97%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

304.1634601 g/mol

Monoisotopic Mass

304.1634601 g/mol

Topological Polar Surface Area

18.5Å²

Heavy Atom Count

Formal Charge

Complexity

454

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-2021019051-A1	Inhibitors of human atgl	2019-07-30
CA-3147471-A1	Inhibitors of human atgl	2019-07-30
JP-5615459-B2	Benzothienobenzothiophene derivatives, organic semiconductor materials, and organic transistors	2012-09-10
JP-WO2014038708-A1	Benzothienobenzothiophene derivatives, organic semiconductor materials, and organic transistors	2012-09-10

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Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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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-(Phenylethynyl)phenylboronic acid pinacol ester

Product Information

Computed Properties

Patents

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