2,6-Dimethylphenylboronic Acid - CAS 100379-00-8

Name: 2,6-Dimethylphenylboronic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB000208
Product Name:	2,6-Dimethylphenylboronic Acid
CAS:	100379-00-8
Synonyms:	(2,6-dimethylphenyl)boronic acid; (2,6-dimethylphenyl)boronic acid

Technical Data

IUPAC Name:	(2,6-dimethylphenyl)boronic acid
Description:	Reagent used for: Palladium catalyzed Suzuki-Miyaura coupling reactions ; One-pot ipso-nitration of arylboronic acids including broader substrate scope of heterocycles and functional groups ; Nickel-Catalyzed Cross-Coupling of Chromene Acetals and Boronic Acids ; Visible-light initiated aerobic oxidative hydroxylation catalyzed by Ru-complex ; Rhodium(I)-catalyzed 1,4-addition reactions ; Pd-catalyzed homocouplings ; Expanded scope of Cu assisted Suzuki-Miyaura coupling reactions including aryl chlorides and polyhalo aryl boronates Reagent used in Prepration of; Orally bioavialable G Protein-Coupled Receptor 40 agonists for diabetes treatment ; Solid phase synthesis and antitumor structure-activity relationship of Smac triazoloprolines and biarylalanines tetrapeptide libraries ; Protein Kinase inhibitors.
Molecular Weight:	149.98
Molecular Formula:	C8H11O2B
Canonical SMILES:	B(C1=C(C=CC=C1C)C)(O)O
InChI:	InChI=1S/C8H11BO2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5,10-11H,1-2H3
InChI Key:	ZXDTWWZIHJEZOG-UHFFFAOYSA-N
Boiling Point:	299.9 °C at 760 mmHg
Melting Point:	105 °C (dec.) (lit.)
Flash Point:	Not applicable
Purity:	≥ 95.0 %
Density:	1.07 g/cm³
Appearance:	Crystalline powder
Storage:	Keep in dark place, Sealed in dry, Room Temperature
MDL:	MFCD01009693
LogP:	-0.01680

GHS Hazard Statement:	H315 (100%): 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

Publication Number	Title	Priority Date
CN-111960987-A	Synthesis method of methylene bis (isoindole) compound	20200811
CN-111646997-A	Nitrogen-containing heterocyclic compound, electronic element, and electronic device	20191231
WO-2021133689-A2	Lipoxygenase inhibitors	20191223
US-2021171535-A1	Tricyclic heterocycles as fgfr inhibitors	20191204
WO-2021113479-A1	Tricyclic heterocycles as fgfr inhibitors	20191204

PMID	Publication Date	Title	Journal
20201431	20091001	Improvement on synthesis of different alkyl-phenylboronic acid	Journal of biomedical nanotechnology
12160390	20020812	Tetraarylpentaborates, [B(5)O(6)Ar(4)](-) (Ar = C(6)H(4)OMe-4, C(6)H(3)Me(2)-2,6): their formation from the reaction of arylboronic acids with an aryloxorhodium complex, structure, and chemical properties	Inorganic chemistry

Complexity:	117
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	150.0852098
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	150.0852098
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0