2-Tolylboronic Acid

Inquiry

Molecular Formula:

C7H9O2B

Molecular Weight:

135.96

CAS Number:

16419-60-6

Catalog Number:

16419-60-6

Product Information

Molecular Formula:

C7H9O2B

Molecular Weight:

135.96

Description

Reagent used for: Palladium-catalyzed direct arylation of pyrazoles with phenylboronic acids ; Pd-catalyzed arylation using Suzuki-Miyaura cross-coupling in water ; Ruthenium catalyzed direct arylation reactions ; Ligand-free copper-catalyzed coupling reactions ; Copper-catalyzed cross-coupling reactions of diaryl diselenides ; Phosphine-free Suzuki-Miyaura cross-coupling reactions ; Rhodium-catalyzed asymmetric 1,4-addition reactions Reagent used in Preparation of; Chiral monophosphorus ligands in asymmetric Suzuki-Miyaura coupling reaction ; Palladium nanoparticles immobilized by click ionic copolymers as recyclable catalysts for Suzuki-Miyaura cross-coupling reaction in water ; Human farnesyl pyrophosphate synthase inhibitors as antitumor agents for multiple myeloma cells.

Synonyms

(2-methylphenyl)boronic acid; (2-methylphenyl)boronic acid

IUPAC Name

(2-methylphenyl)boronic acid

Canonical SMILES

B(C1=CC=CC=C1C)(O)O

InChI

InChI=1S/C7H9BO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5,9-10H,1H3

InChI Key

NSJVYHOPHZMZPN-UHFFFAOYSA-N

Boiling Point

283.4 °C at 760 mmHg

Melting Point

162-164 °C (lit.)

Flash Point

Not applicable

Purity

≥ 95.0 %

Density

1.1 g/cm³

LogP

-0.32520

Safety Information

Hazards

H315 - H319 - H335

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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

136.0695597 g/mol

Monoisotopic Mass

136.0695597 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

106

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
CN-114106056-A	Metal organic light-emitting material and application thereof in OLED device	2021-12-02
CN-114163381-A	Method for synthesizing (2, 6-diphenylpyridine-3, 5-diacyl) bis (benzophenone) and derivatives thereof	2021-12-01
CN-114163384-A	Method for synthesizing polysubstituted 5-acyl nicotinonitrile	2021-12-01
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-113831289-A	Imidized fluorenone derivative and intermediate, preparation method and application thereof	2021-09-30
CN-113979939-A	Synthesis method and application of 2-arylquinoline-4-carboxylic ester	2021-09-12
CN-113582940-A	Lipid drop specific fluorescent probe and synthetic method thereof	2021-09-07
CN-113461718-A	Polycyclic aromatic compound and organic electroluminescent element	2021-07-12

Literatures

PMID	Publication Date	Title	Journal
11418053	2001-06-28	Copper-catalyzed coupling of arylboronic acids and amines	Organic letters

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