4-Acetylphenylboronic Acid
Product Information
Molecular Formula
C8H9O3B
Molecular Weight
163.97
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.
Synonyms
(4-acetylphenyl)boronic acid; (4-acetylphenyl)boronic acid
IUPAC Name
(4-acetylphenyl)boronic acid
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
LogP
-0.43100
Safety Information
Hazards
H315 - H319 - H335
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
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
164.0644743 g/mol
Monoisotopic Mass
164.0644743 g/mol
Topological Polar Surface Area
57.5Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
162
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-114181046-A | Preparation method of 4,4' -biphenol with low energy consumption | 2021-12-27 |
| CN-113896736-A | Aryl-substituted spirooxazine photochromic compound and preparation method and application thereof | 2021-11-18 |
| CN-113929635-A | 1, 6-diphenyl-1H-benzo [ d ] [1,2,3] triazole compound and preparation method and application thereof | 2021-11-09 |
| CN-113264917-A | Anti-hepatitis B virus compound and preparation method and application thereof | 2021-05-28 |
| CN-112876503-A | Borate compound for cancer boron neutron capture therapeutic medicine and preparation thereof | 2021-03-18 |
| CN-112687878-A | Electrochemical device and electronic device | 2020-12-25 |
| WO-2022032222-A1 | Compositions and methods for the treatment and diagnosis of cancer | 2020-08-07 |
| WO-2022032223-A1 | Compositions and methods for the treatment and diagnosis of cancer | 2020-08-07 |
| WO-2022032224-A1 | Compositions and methods for the treatment and diagnosis of cancer | 2020-08-07 |
| US-2022033393-A1 | Compounds for Treating Cannabinoid Toxicity and Acute Cannabinoid Overdose | 2020-07-31 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 20594849 | 2010-08-01 | Aryl boronic acid inhibition of synthetic melanin polymerization | Bioorganic & medicinal chemistry letters |
| 19686842 | 2009-11-15 | Direct oxidation of boronates by peroxynitrite: mechanism and implications in fluorescence imaging of peroxynitrite | Free radical biology & medicine |
