2,6-Dimethylphenylboronic Acid - CAS 100379-00-8
Catalog: |
BB000208 |
Product Name: |
2,6-Dimethylphenylboronic Acid |
CAS: |
100379-00-8 |
Synonyms: |
(2,6-dimethylphenyl)boronic acid; (2,6-dimethylphenyl)boronic acid |
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 ℃ at 760 mmHg |
Melting Point: | 105 ℃ (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 |
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