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Diphenylacetylene-4,4'-diboronic acid bis(pinacol)ester

Diphenylacetylene-4,4'-diboronic acid bis(pinacol)ester

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Molecular Formula:

C26H32B2O4

Molecular Weight:

430.15

CAS Number:

849681-64-7

Catalog Number:

849681-64-7

Product Information

Molecular Formula:

C26H32B2O4

Molecular Weight:

430.15

Description

Diphenylacetylene-4,4'-diboronic acid bis(pinacol)ester is an indispensable entity within the biomedical realm. Serving as an intermediary for the synthesis of burgeoning pharmaceutical molecules, this compound exhibits remarkable potential in combating a multitude of afflictions. Notably, its adaptability extends to the realm of targeted anti-cancer, anti-inflammatory, and anti-infectious therapies, whereby its distinct architecture facilitates optimal drug dispersion while simultaneously augmenting therapeutic efficiency.

Synonyms

1,2-Bis(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetylene

IUPAC Name

4,4,5,5-tetramethyl-2-[4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]phenyl]-1,3,2-dioxaborolane

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)B4OC(C(O4)(C)C)(C)C

InChI

InChI=1S/C26H32B2O4/c1-23(2)24(3,4)30-27(29-23)21-15-11-19(12-16-21)9-10-20-13-17-22(18-14-20)28-31-25(5,6)26(7,8)32-28/h11-18H,1-8H3

InChI Key

QJTLCFKOLMALPJ-UHFFFAOYSA-N

Melting Point

275-280 °C

Flash Point

Not applicable

Purity

95%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

430.2486698 g/mol

Monoisotopic Mass

430.2486698 g/mol

Topological Polar Surface Area

36.9Å²

Heavy Atom Count

Formal Charge

Complexity

654

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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Diphenylacetylene-4,4'-diboronic acid bis(pinacol)ester

Product Information

Computed Properties

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