2-Tolylboronic Acid - CAS 16419-60-6

Name: 2-Tolylboronic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB012080
Product Name:	2-Tolylboronic Acid
CAS:	16419-60-6
Synonyms:	(2-methylphenyl)boronic acid; (2-methylphenyl)boronic acid

Technical Data

IUPAC Name:	(2-methylphenyl)boronic acid
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.
Molecular Weight:	135.96
Molecular Formula:	C7H9O2B
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
MDL:	MFCD00093526
LogP:	-0.32520

GHS Hazard Statement:	H315 (99.51%): Causes skin irritation [Warning Skin corrosion/irritation]
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

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PMID	Publication Date	Title	Journal
21510615	20110520	Anthranilamide: a simple, removable ortho-directing modifier for arylboronic acids serving also as a protecting group in cross-coupling reactions	Organic letters
11418053	20010628	Copper-catalyzed coupling of arylboronic acids and amines	Organic letters

Complexity:	106
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	136.0695597
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	136.0695597
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0