2-[(2-Isopropyl-5-methylphenoxy)methyl]phenylboronic acid
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
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
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
5
Exact Mass
284.1583747 g/mol
Monoisotopic Mass
284.1583747 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
308
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
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 |
