3-Acetylphenylboronic Acid - CAS 204841-19-0
Catalog: |
BB016001 |
Product Name: |
3-Acetylphenylboronic Acid |
CAS: |
204841-19-0 |
Synonyms: |
(3-acetylphenyl)boronic acid; (3-acetylphenyl)boronic acid |
IUPAC Name: | (3-acetylphenyl)boronic acid |
Description: | 3-Acetylphenylboronic acid can be used as a substrate: In the synthesis of symmetric biaryls via oxidative dimerization using a palladium catalyst and water as a solvent; In the synthesis of aryl fluorides through electrophilic fluorination reaction using acetyl hypofluorite; In the coupling reactions of organoboranes with olefins using molecular oxygen and palladium catalyst. |
Molecular Weight: | 163.97 |
Molecular Formula: | C8H9O3B |
Canonical SMILES: | B(C1=CC(=CC=C1)C(=O)C)(O)O |
InChI: | InChI=1S/C8H9BO3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5,11-12H,1H3 |
InChI Key: | SJGGDZCTGBKBCK-UHFFFAOYSA-N |
Boiling Point: | 364 °C at 760 mmHg |
Melting Point: | 204-208 °C (lit.) |
Flash Point: | Not applicable |
Purity: | ≥ 95 % |
Density: | 1.19 g/cm3 |
Solubility: | Slightly soluble in water |
Appearance: | White powder |
MDL: | MFCD01074678 |
LogP: | -0.43100 |
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 |
JP-2021152083-A | Pest control method | 20210702 |
CN-112876503-A | Borate compound for cancer boron neutron capture therapeutic medicine and preparation thereof | 20210318 |
WO-2021153786-A1 | Phenylacetic acid derivative, use therefor, and production intermediate thereof | 20200131 |
WO-2021079356-A1 | Compounds and methods for promoting plant growth | 20191024 |
CN-110724033-A | Method for preparing alcohol by Suzuki reaction without exogenous base | 20191019 |
PMID | Publication Date | Title | Journal |
21378917 | 20090901 | Metal-free carbon-carbon bond-forming reductive coupling between boronic acids and tosylhydrazones | Nature chemistry |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.0644743 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.0644743 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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