4-Methylbenzeneboronic Acid

Catalog Number Size Price Stock Quantity
5720-05-8 1 kg $319 In stock
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Product Information

Molecular Formula:
C7H9O2B
Molecular Weight:
135.96
Description
Reagent used for: Palladium (Pd)-catalyzed direct arylation; Direct Palladium(II)-Catalyzed Synthesis; Palladium-catalyzed arylation by Suzuki-Miyaura cross-coupling in water; Cyclopalladation; Tandem-type Pd(II)-catalyzed oxidative Heck reaction and intramolecular C-H amidation sequence; Ruthenium catalyzed direct arylation; Rhodium-catalyzed asymmetric conjugate addition; Ligand-free copper-catalyzed cross-coupling reactions; Regioselective arylation and alkynylation by Suzuki-Miyaura and Sonogashira cross-coupling reactions; Ligand-free Suzuki, Sonogashira, and Heck cross-coupling reactionsReagent used in Preparation of; Catalysts for Suzuki-Miyaura cross-coupling of aryl bromides; Recyclable Palladium nanoparticle catalysts immobilized by click ionic copolymers as for Suzuki-Miyaura cross-coupling reactions in water.
Synonyms
(4-methylphenyl)boronic acid; (4-methylphenyl)boronic acid
IUPAC Name
(4-methylphenyl)boronic acid
Canonical SMILES
B(C1=CC=C(C=C1)C)(O)O
InChI
InChI=1S/C7H9BO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5,9-10H,1H3
InChI Key
BIWQNIMLAISTBV-UHFFFAOYSA-N
Boiling Point
275.2 °C / 760 mmHg
Melting Point
256-263 °C (lit.)
Flash Point
Not applicable
Purity
97 %
Density
0.911 g/cm3
Storage
Keep in dark place. Sealed in dry. Room temperature.
LogP
-0.32520

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
2
Rotatable Bond Count
1
Exact Mass
136.0695597 g/mol
Monoisotopic Mass
136.0695597 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
97.8
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
CN-114031475-A Bromine simple substance-promoted extremely-low-dose palladium-catalyzed water-phase Suzuki coupling reaction method 2021-12-24
CN-114106056-A Metal organic light-emitting material and application thereof in OLED device 2021-12-02
CN-113968824-A 2,3, 5-trisubstituted pyrazine compound and preparation method and application thereof 2021-11-29
CN-114106050-A Tight chiral environment biphenyl-phenanthrene framework chiral phosphoric acid and preparation method and application thereof 2021-11-29
CN-114016060-A Synthetic method of phenolic compound 2021-11-23
CN-114149298-A Method for preparing biaryl compound from arylboronic acid by using hydrazone catalyst 2021-11-22
CN-113929635-A 1, 6-diphenyl-1H-benzo [ d ] [1,2,3] triazole compound and preparation method and application thereof 2021-11-09
CN-113788846-A Tricyclic thiazolo [5,4-d ] pyrimidone derivative and application thereof 2021-10-27
CN-114181716-A Gas response type Pickering emulsifier, preparation method and application in Suzuki reaction 2021-10-19
CN-113845550-A Flexible large-steric-hindrance N-heterocyclic carbene palladium complex containing halogenated benzene ring, and preparation method and application thereof 2021-09-27

Literatures

PMID Publication Date Title Journal
22509992 2012-05-04 Direct palladium(II)-catalyzed synthesis of arylamidines from aryltrifluoroborates Organic letters
22225633 2012-02-01 Design and synthesis of boronic acid inhibitors of endothelial lipase Bioorganic & medicinal chemistry letters
21510615 2011-05-20 Anthranilamide: a simple, removable ortho-directing modifier for arylboronic acids serving also as a protecting group in cross-coupling reactions Organic letters
20594849 2010-08-01 Aryl boronic acid inhibition of synthetic melanin polymerization Bioorganic & medicinal chemistry letters
20354619 2010-04-21 Palladium complexes with a tridentate PNO ligand. Synthesis of eta1-allyl complexes and cross-coupling reactions promoted by boron compounds Dalton transactions (Cambridge, England : 2003)
16808516 2006-07-07 Pyridyl-supported pyrazolyl-N-heterocyclic carbene ligands and the catalytic activity of their palladium complexes in Suzuki-Miyaura reactions The Journal of organic chemistry
11924546 2002-03-01 1H and 11B NMR study of p-toluene boronic acid and anhydride Analytical sciences : the international journal of the Japan Society for Analytical Chemistry
11418053 2001-06-28 Copper-catalyzed coupling of arylboronic acids and amines Organic letters
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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