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2-[(2-Isopropyl-5-methylphenoxy)methyl]phenylboronic acid

2-[(2-Isopropyl-5-methylphenoxy)methyl]phenylboronic acid

Inquiry

Molecular Formula:

C17H21BO3

Molecular Weight:

284.2

CAS Number:

1072951-87-1

Catalog Number:

1072951-87-1

Product Information

Molecular Formula:

C17H21BO3

Molecular Weight:

284.2

Description

2-[(2-Isopropyl-5-methylphenoxy)methyl]phenylboronic acid is a boronic acid derivative. Highly versatile, it is commonly used in the biomedical industry for Suzuki-Miyaura cross-coupling reactions, contributing to the creation of cancer-targeting drugs.

Synonyms

[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]boronic acid; (2-((2-Isopropyl-5-methylphenoxy)methyl)phenyl)boronicacid; (2-{[5-Methyl-2-(propan-2-yl)phenoxy]methyl}phenyl)boronic acid

IUPAC Name

[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]boronic acid

Canonical SMILES

B(C1=CC=CC=C1COC2=C(C=CC(=C2)C)C(C)C)(O)O

InChI

InChI=1S/C17H21BO3/c1-12(2)15-9-8-13(3)10-17(15)21-11-14-6-4-5-7-16(14)18(19)20/h4-10,12,19-20H,11H2,1-3H3

InChI Key

JDYAGWNUTBEZCI-UHFFFAOYSA-N

Melting Point

143-147 °C

Purity

98%

Safety Information

Hazards

H413

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

284.1583747 g/mol

Monoisotopic Mass

284.1583747 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

308

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-2011127933-A1	Bi-functional complexes and methods for making and using such complexes	2010-04-16

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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