2-Methoxy-5-methylphenylboronic Acid
Product Information
Molecular Formula
C8H11O3B
Molecular Weight
165.98
Description
Reactant for: Coupling reactions; Preparation of selective quinazolinyl-phenol inhibitors of CHK1 as potential antitumors and radioprotectants; Rh-catalyzed asymmetric arylation of aldehydes; Stereoselective hydroarylation reactions; Suzuki-Miyaura cross-coupling.
Synonyms
(2-methoxy-5-methylphenyl)boronic acid; (2-methoxy-5-methylphenyl)boronic acid
IUPAC Name
(2-methoxy-5-methylphenyl)boronic acid
SMILES
B(C1=C(C=CC(=C1)C)OC)(O)O
InChI
InChI=1S/C8H11BO3/c1-6-3-4-8(12-2)7(5-6)9(10)11/h3-5,10-11H,1-2H3
InChI Key
CSVKZOZMPSRLTC-UHFFFAOYSA-N
Boiling Point
342 °C at 760 mmHg
Melting Point
92-97 °C (lit.)
Purity
≥ 95 %
Density
1.14 g/cm3
Solubility
Soluble in methanol
Appearance
White to off white powder
Storage
Inert atmosphere, Room Temperature
LogP
-0.31660
Safety Information
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
166.0801244 g/mol
Monoisotopic Mass
166.0801244 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
140
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-2022008475-A1 | Indole derivatives and uses thereof for treating a cancer | 2020-07-06 |
| CN-112079829-A | 1,2, 4-triazole [4,3-a ] pyridine derivative and preparation method and application thereof | 2019-06-14 |
| CN-112079829-B | 1,2, 4-triazole [4,3-a ] pyridine derivative and preparation method and application thereof | 2019-06-14 |
| WO-2020191261-A1 | Indazoles as lrrk2 inhibitors | 2019-03-21 |
| WO-2020151589-A1 | Acylamino bridged heterocyclic compound, and composition and application thereof | 2019-01-25 |
| TW-202041507-A | Amido bridged heterocyclic compound, and composition and application thereof | 2019-01-25 |
| CA-3127701-A1 | Acylamino bridged heterocyclic compound, and composition and application thereof | 2019-01-25 |
| CN-113166116-A | Amido bridged heterocyclic compound, and composition and application thereof | 2019-01-25 |
| EP-3901147-A1 | Acylamino bridged heterocyclic compound, and composition and application thereof | 2019-01-25 |
| TW-I724753-B | Amido bridged heterocyclic compound, and composition and application thereof | 2019-01-25 |
