4-Acetylphenylboronic Acid - CAS 149104-90-5
Catalog: |
BB010375 |
Product Name: |
4-Acetylphenylboronic Acid |
CAS: |
149104-90-5 |
Synonyms: |
(4-acetylphenyl)boronic acid; (4-acetylphenyl)boronic acid |
IUPAC Name: | (4-acetylphenyl)boronic acid |
Description: | 4-Acetylphenylboronic acid was used in the synthesis of 4'-azidoacetophenone. Reactant involved in: Palladium-catalyzed decarboxylative coupling; Copper-catalyzed hydroxylation; Palladium-catalyzed Suzuki-Miyaura cross-coupling; Cross-coupling with α-bromocarbonyl compounds; Oxidation catalyzed by Baeyer-Villiger monooxygenases; 1,5-substitution reactions. |
Molecular Weight: | 163.97 |
Molecular Formula: | C8H9O3B |
Canonical SMILES: | B(C1=CC=C(C=C1)C(=O)C)(O)O |
InChI: | InChI=1S/C8H9BO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5,11-12H,1H3 |
InChI Key: | OBQRODBYVNIZJU-UHFFFAOYSA-N |
Boiling Point: | 354.2 °C at 760 mmHg |
Melting Point: | 240-244 °C (lit.) |
Flash Point: | Not applicable |
Purity: | 95 % |
Density: | 1.19 g/cm3 |
MDL: | MFCD01074667 |
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 |
CN-113264917-A | Anti-hepatitis B virus compound and preparation method and application thereof | 20210528 |
CN-112876503-A | Borate compound for cancer boron neutron capture therapeutic medicine and preparation thereof | 20210318 |
CN-112687878-A | Electrochemical device and electronic device | 20201225 |
CN-111559990-A | Micromolecular oxathiazine derivative and application thereof | 20200529 |
CN-111559990-B | Micromolecular oxathiazine derivative and application thereof | 20200529 |
PMID | Publication Date | Title | Journal |
20594849 | 20100801 | Aryl boronic acid inhibition of synthetic melanin polymerization | Bioorganic & medicinal chemistry letters |
19686842 | 20091115 | Direct oxidation of boronates by peroxynitrite: mechanism and implications in fluorescence imaging of peroxynitrite | Free radical biology & medicine |
Complexity: | 162 |
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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