4-METHYLBENZYLBORONIC ACID PINACOL ESTER

Inquiry

Molecular Formula:

C14H21BO2

CAS Number:

356570-52-0

Catalog Number:

356570-52-0

Product Information

Molecular Formula:

C14H21BO2

Description

An indispensable reagent in the field of biomedicine, 4-METHYLBENZYLBORONIC ACID PINACOL ESTER plays a pivotal role in the synthesis of pharmaceutical compounds. Its significance lies in its function as a fundamental component for the derivation of boronic ester derivatives, which exhibit promising therapeutic properties in the combat against diverse ailments, such as cancer and inflammatory disorders.

Synonyms

4-Methylbenzylboronicacidpinacolester;356570-52-0;4,4,5,5-Tetramethyl-2-(4-methylbenzyl)-1,3,2-dioxaborolane;4-Methylbenzylboronicacid,pinacolester;2-(4-Methylbenzyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[(4-methylphenyl)methyl]-1,3,2-dioxaborolane

IUPAC Name

4,4,5,5-tetramethyl-2-[(4-methylphenyl)methyl]-1,3,2-dioxaborolane

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)CC2=CC=C(C=C2)C

InChI

InChI=1S/C14H21BO2/c1-11-6-8-12(9-7-11)10-15-16-13(2,3)14(4,5)17-15/h6-9H,10H2,1-5H3

InChI Key

IRKUSKILEFQOJQ-UHFFFAOYSA-N

Boiling Point

95°C/1 mmHg

Flash Point

Not applicable

Purity

95%

Density

0.953

Appearance

Colorless to yellow liquid

Refractive Index

n20/D 1.489

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

232.1634601 g/mol

Monoisotopic Mass

232.1634601 g/mol

Topological Polar Surface Area

18.5Å²

Heavy Atom Count

Formal Charge

Complexity

251

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)

Mass

Concentration

Volume

Molecular Weight *

Calculate

The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

Calculate

4-METHYLBENZYLBORONIC ACID PINACOL ESTER

Product Information

Computed Properties

Related Products