2,6-Dimethylphenylboronic Acid

Product Information

Molecular Formula:
C8H11O2B
Molecular Weight:
149.98
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.
Synonyms
(2,6-dimethylphenyl)boronic acid; (2,6-dimethylphenyl)boronic acid
IUPAC Name
(2,6-dimethylphenyl)boronic acid
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
LogP
-0.01680

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
150.0852098 g/mol
Monoisotopic Mass
150.0852098 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
117
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-111960987-A Synthesis method of methylene bis (isoindole) compound 2020-08-11
CN-111960987-B Synthesis method of methylene bis (isoindole) compound 2020-08-11
CN-114057798-A Organic electroluminescent material and device 2020-07-30
KR-20220015348-A Organic electroluminescent materials and devices 2020-07-30
US-2022041637-A1 Organic electroluminescent materials and devices 2020-07-30
WO-2022012456-A1 Novel heterocyclic compounds as bet inhibitors 2020-07-17
WO-2022013408-A2 Cyclic cyanoenone derivatives as modulators of keap1 2020-07-16
JP-2022022902-A Compound with fluorene skeleton 2020-07-10
KR-20210152245-A Organometallic compound and organic light emitting device including the same 2020-06-08
US-2021380620-A1 Organometallic compound and organic light-emitting device including the same 2020-06-08

Literatures

PMID Publication Date Title Journal
20201431 2009-10-01 Improvement on synthesis of different alkyl-phenylboronic acid Journal of biomedical nanotechnology
12160390 2002-08-12 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
3869 1976-02-01 Dynamics of the changes in the tissular levels of cyclic AMP after cobalt-60 gamma-irradiation Strahlentherapie
4893 1975-11-01 Clinical experience with beta-blockers in consultant psychiatric practice Scottish medical journal
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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