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Carbonicacid, 1,1-dimethylethyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylester

Carbonicacid, 1,1-dimethylethyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylester

Name: Carbonicacid, 1,1-dimethylethyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylester
Brand: BOC Sciences
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Molecular Formula:

C17H25 B O5

Molecular Weight:

320.19

CAS Number:

480438-74-2

Catalog Number:

480438-74-2

Product Information

Molecular Formula:

C17H25 B O5

Molecular Weight:

320.19

Description

Carbonicacid, 1,1-dimethylethyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylester, extensively utilized in the thriving biomedical sector, highlights its robust therapeutic potential across a multitude of ailments encompassing cancer and inflammatory conditions. In addition to its profound pharmaceutical prowess, this exceptional compound demonstrates immense promise as an indispensable component in cutting-edge drug delivery mechanisms and an invaluable molecular probe within the realm of advanced biomedical investigations.

Synonyms

3-TERT-BUTOXYCARBONYLOXYPHENYLBORONIC ACID, PINACOL ESTER; T-BUTYL-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL CARBONATE; TERT-BUTYL-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL CARBONATE; t-Butyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan

IUPAC Name

tert-butyl [3-(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=C2)OC(=O)OC(C)(C)C

InChI

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

InChI Key

UPAKXEPDVAHKPP-UHFFFAOYSA-N

Melting Point

84-88 °C (lit.)

Flash Point

Not applicable

Purity

95%

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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Carbonicacid, 1,1-dimethylethyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylester

Product Information

Computed Properties

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