Cas no 1072952-05-6 (5-AMINO-2,4-DIFLUOROPHENYLBORONIC ACID)
5-AMINO-2,4-DIFLUOROPHENYLBORONIC ACID Chemical and Physical Properties
Names and Identifiers
-
- 5-AMINO-2,4-DIFLUOROPHENYLBORONIC ACID
- A801646
- DB-295981
- SCHEMBL9939118
- EN300-7829687
- DTXSID90660490
- (5-amino-2,4-difluoro-phenyl)boronic acid
- 1072952-05-6
- AB13156
- OGNIKQBSICENMO-UHFFFAOYSA-N
- MFCD03092923
- 5-amino-2,4-difluorophenylboronicacid
- (5-amino-2,4-difluorophenyl)boronic acid
-
- Inchi: 1S/C6H6BF2NO2/c8-4-2-5(9)6(10)1-3(4)7(11)12/h1-2,11-12H,10H2
- InChI Key: OGNIKQBSICENMO-UHFFFAOYSA-N
- SMILES: FC1=CC(=C(C=C1B(O)O)N)F
Computed Properties
- Exact Mass: 172.04958
- Monoisotopic Mass: 173.046
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 161
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 66.5A^2
Experimental Properties
- PSA: 66.48
- LogP: -0.19200
5-AMINO-2,4-DIFLUOROPHENYLBORONIC ACID Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1691574-1g |
(5-Amino-2,4-difluorophenyl)boronic acid |
1072952-05-6 | 98% | 1g |
¥5175.00 | 2024-08-09 | |
| eNovation Chemicals LLC | Y1056239-5g |
5-Amino-2,4-difluorophenylboronic acid |
1072952-05-6 | 95% | 5g |
$1495 | 2025-02-25 | |
| eNovation Chemicals LLC | Y1056239-10g |
5-Amino-2,4-difluorophenylboronic acid |
1072952-05-6 | 95% | 10g |
$2395 | 2025-02-25 | |
| eNovation Chemicals LLC | Y1056239-5g |
5-Amino-2,4-difluorophenylboronic acid |
1072952-05-6 | 95% | 5g |
$1495 | 2024-07-28 | |
| eNovation Chemicals LLC | Y1056239-10g |
5-Amino-2,4-difluorophenylboronic acid |
1072952-05-6 | 95% | 10g |
$2395 | 2024-07-28 | |
| eNovation Chemicals LLC | Y1056239-5g |
5-Amino-2,4-difluorophenylboronic acid |
1072952-05-6 | 95% | 5g |
$1495 | 2025-02-26 | |
| eNovation Chemicals LLC | Y1056239-10g |
5-Amino-2,4-difluorophenylboronic acid |
1072952-05-6 | 95% | 10g |
$2395 | 2025-02-26 |
5-AMINO-2,4-DIFLUOROPHENYLBORONIC ACID Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
Additional information on 5-AMINO-2,4-DIFLUOROPHENYLBORONIC ACID
5-AMINO-2,4-DIFLUOROPHENYLBORONIC ACID: A Comprehensive Overview
The compound with CAS No. 1072952-05-6, known as 5-amino-2,4-difluorophenylboronic acid, is a significant intermediate in organic synthesis, particularly in the field of medicinal chemistry and materials science. This compound has garnered attention due to its unique structural properties and versatile applications in modern chemical research. In this article, we will delve into its structure, properties, applications, and recent advancements in its utilization.
Structure and Properties: The molecular structure of 5-amino-2,4-difluorophenylboronic acid consists of a benzene ring substituted with an amino group at the 5-position and two fluorine atoms at the 2 and 4 positions. The presence of the amino group introduces nucleophilic character, while the fluorine atoms enhance the molecule's electronic properties, making it highly reactive in various coupling reactions. Recent studies have highlighted its stability under mild reaction conditions, which is crucial for its use in sensitive synthetic processes.
Chemical Reactivity: The compound exhibits remarkable reactivity in cross-coupling reactions, particularly the Suzuki-Miyaura coupling. This reaction is pivotal in the synthesis of biaryl compounds, which are widely used in pharmaceuticals and agrochemicals. Recent research has demonstrated that 5-amino-2,4-difluorophenylboronic acid can be effectively utilized as a boronic acid partner in these reactions, yielding high yields of desired products with excellent regioselectivity.
Applications in Drug Discovery: In the realm of drug discovery, 5-amino-2,4-difluorophenylboronic acid has been employed as a key intermediate in the synthesis of various bioactive molecules. Its ability to participate in multiple reaction pathways makes it invaluable for constructing complex molecular frameworks. For instance, it has been used in the development of potential anticancer agents and central nervous system drugs, where precise control over molecular architecture is essential.
Recent Research Advances: Recent studies have explored the use of 5-amino-2,4-difluorophenylboronic acid in advanced materials science applications. Researchers have successfully incorporated this compound into the synthesis of organic semiconductors and optoelectronic materials. Its unique electronic properties make it a promising candidate for next-generation electronic devices.
Synthesis and Optimization: The synthesis of 5-amino-2,4-difluorophenylboronic acid involves a series of well-established organic transformations. Recent optimizations have focused on improving reaction efficiency and reducing environmental impact. For example, catalytic methods using palladium catalysts have been refined to enhance yield and reduce byproduct formation.
Safety and Handling: While 5-amino-2,4-difluorophenylboronic acid is not classified as a hazardous material under standard conditions, proper handling procedures should be followed to ensure safety in laboratory settings. It is recommended to store the compound in a cool, dry place away from direct sunlight to maintain its stability.
In conclusion, 5-amino-2,4-difluorophenylboronic acid (CAS No. 1072952-05-6) stands out as a versatile and valuable compound in contemporary chemical research. Its unique properties and wide-ranging applications continue to drive innovation across multiple disciplines. As research progresses, we can expect even more exciting developments leveraging this compound's potential.
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