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2-(tert-Butoxycarbonyloxy)phenylboronic acid pinacol ester

2-(tert-Butoxycarbonyloxy)phenylboronic acid pinacol ester

Name: 2-(tert-Butoxycarbonyloxy)phenylboronic acid pinacol ester
Brand: BOC Sciences
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Molecular Formula:

(CH3)3COCOOC6H4BO2C2(CH3)4

Molecular Weight:

320.19

CAS Number:

480424-71-3

Catalog Number:

480424-71-3

Product Information

Molecular Formula:

(CH3)3COCOOC6H4BO2C2(CH3)4

Molecular Weight:

320.19

Description

2-(tert-Butoxycarbonyloxy)phenylboronic acid pinacol ester is a boronic acid ester derivative often used in biomedicine. This product plays an essential role in the synthesis of drugs for cardiovascular and pulmonary diseases, specifically vasodilators and bronchodilators.

Synonyms

tert-Butyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylcarbonate, tert-Butyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl carbonate

IUPAC Name

tert-butyl [2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] carbonate

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2OC(=O)OC(C)(C)C

InChI

InChI=1S/C17H25BO5/c1-15(2,3)21-14(19)20-13-11-9-8-10-12(13)18-22-16(4,5)17(6,7)23-18/h8-11H,1-7H3

InChI Key

JWSZKSKLMRKJHM-UHFFFAOYSA-N

Melting Point

73-77 °C (lit.)

Flash Point

Not applicable

Purity

97%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

320.1795041 g/mol

Monoisotopic Mass

320.1795041 g/mol

Topological Polar Surface Area

54Å²

Heavy Atom Count

Formal Charge

Complexity

425

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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2-(tert-Butoxycarbonyloxy)phenylboronic acid pinacol ester

Product Information

Computed Properties

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