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
Canonical 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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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