2-Methoxy-5-methylphenylboronic Acid - CAS 127972-00-3
Catalog: |
BB006848 |
Product Name: |
2-Methoxy-5-methylphenylboronic Acid |
CAS: |
127972-00-3 |
Synonyms: |
(2-methoxy-5-methylphenyl)boronic acid; (2-methoxy-5-methylphenyl)boronic acid |
IUPAC Name: | (2-methoxy-5-methylphenyl)boronic acid |
Description: | Reactant for: Coupling reactions; Preparation of selective quinazolinyl-phenol inhibitors of CHK1 as potential antitumors and radioprotectants; Rh-catalyzed asymmetric arylation of aldehydes; Stereoselective hydroarylation reactions; Suzuki-Miyaura cross-coupling. |
Molecular Weight: | 165.98 |
Molecular Formula: | C8H11O3B |
Canonical SMILES: | B(C1=C(C=CC(=C1)C)OC)(O)O |
InChI: | InChI=1S/C8H11BO3/c1-6-3-4-8(12-2)7(5-6)9(10)11/h3-5,10-11H,1-2H3 |
InChI Key: | CSVKZOZMPSRLTC-UHFFFAOYSA-N |
Boiling Point: | 342 °C at 760 mmHg |
Melting Point: | 92-97 °C (lit.) |
Purity: | ≥ 95 % |
Density: | 1.14 g/cm3 |
Solubility: | Soluble in methanol |
Appearance: | White to off white powder |
Storage: | Inert atmosphere, Room Temperature |
MDL: | MFCD02179465 |
LogP: | -0.31660 |
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-112079829-A | 1,2, 4-triazole [4,3-a ] pyridine derivative and preparation method and application thereof | 20190614 |
WO-2020191261-A1 | Indazoles as lrrk2 inhibitors | 20190321 |
WO-2020151589-A1 | Acylamino bridged heterocyclic compound, and composition and application thereof | 20190125 |
TW-202041507-A | Amido bridged heterocyclic compound, and composition and application thereof | 20190125 |
CN-113166116-A | Amido bridged heterocyclic compound, and composition and application thereof | 20190125 |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.0801244 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.0801244 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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