Methylboronic Acid - CAS 13061-96-6
Catalog: |
BB007142 |
Product Name: |
Methylboronic Acid |
CAS: |
13061-96-6 |
Synonyms: |
methylboronic acid; methylboronic acid |
IUPAC Name: | methylboronic acid |
Description: | Reagent used for: Palladium-catalyzed Stille and Suzuki-Miyaura cross-couplings; Microwave-heated heterogeneous Palladium (Pd)-catalytized reactions; Ruthenium (Ru)-catalyzed silylation reactions; Bis(aminotropone) Titanium (Ti) catalysts for ethylene polymerizations; Enantioselective asymmetric bromoaminocyclization and bromoaminocyclization using amino-thiocarbamate catalystsReagent used in Preparation of; Common building blocks for pharmaceuticals and agrochemicals; Chrysin analogs by Suzuki-Miyaura coupling reactions; Casein kinase I inhibitors; Divergent C-H functionalizations directed by sulfonamide pharmacophores in drug discovery. |
Molecular Weight: | 59.86 |
Molecular Formula: | CH5O2B |
Canonical SMILES: | B(C)(O)O |
InChI: | InChI=1S/CH5BO2/c1-2(3)4/h3-4H,1H3 |
InChI Key: | KTMKRRPZPWUYKK-UHFFFAOYSA-N |
Boiling Point: | 141.7 °C at 760 mmHg |
Melting Point: | 91-94 °C (lit.) |
Flash Point: | Not applicable |
Purity: | 97 % |
Density: | 0.965 g/cm3 |
MDL: | MFCD00002105 |
LogP: | -0.91100 |
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 |
US-2016058758-A1 | Syk inhibitors | 20140714 |
US-2016009706-A1 | Quinuclidines for modulating alpha 7 activity | 20140711 |
US-9434724-B2 | Quinuclidines for modulating alpha 7 activity | 20140711 |
WO-2015200677-A2 | Prmt5 inhibitors and uses thereof | 20140625 |
WO-2015193846-A1 | Substituted indazole compounds as irak4 inhibitors | 20140620 |
PMID | Publication Date | Title | Journal |
22446752 | 20120615 | The spectroscopic (FTIR, FT-Raman, NMR and UV), first-order hyperpolarizability and HOMO-LUMO analysis of methylboronic acid | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
22170941 | 20120301 | Biosynthesis of a cholesterol-derived brassinosteroid, 28-norcastasterone, in Arabidopsis thaliana | Journal of experimental botany |
21961532 | 20111118 | Palladium-catalyzed coupling of arene C-H bonds with methyl- and arylboron reagents assisted by the removable 2-pyridylsulfinyl group | The Journal of organic chemistry |
21302930 | 20110310 | 8-Azatetracyclines: synthesis and evaluation of a novel class of tetracycline antibacterial agents | Journal of medicinal chemistry |
22355232 | 20110101 | Optimization of Benzoisothiazole dioxide inhibitory activity of the NS5B polymerase of HCV genotype 4 using ligand-steered homological modeling, reaction-driven scaffold-hopping and Enovo workflow | Bioinformation |
Complexity: | 13.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 60.0382596 |
Formal Charge: | 0 |
Heavy Atom Count: | 4 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 60.0382596 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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