Cas no 1187874-94-7 (4-Hydroxy-3-(trifluoromethyl)phenylboronic Acid)
4-Hydroxy-3-(trifluoromethyl)phenylboronic Acid Chemical and Physical Properties
Names and Identifiers
-
- (4-Hydroxy-3-(trifluoromethyl)phenyl)boronic acid
- 2-Methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoic acid methyl ester
- B-[4-hydroxy-3-(trifluoromethyl)phenyl]Boronic acid
- [4-Hydroxy-3-(trifluoromethyl)phenyl]boronic acid
- 4-hydroxy-3-(trifluoromethyl)phenylboronic acid
- AK118740
- Boronic acid, B-[4-hydroxy-3-(trifluoromethyl)phenyl]-
- FCH1368511
- BC001484
- PC448021
- ST2408034
- AX8244156
- Y3774
- AM20080766
- MFCD18384143
- (4-Hydroxy-3-(trifluoromethyl)phenyl)boronicacid
- AKOS016000523
- DTXSID30726928
- EN300-2201537
- 1187874-94-7
- GAQZFSBHSWBMRW-UHFFFAOYSA-N
- DS-5392
- SCHEMBL7895094
- N12336
- CS-W006877
- DA-19787
- 4-Hydroxy-3-(trifluoromethyl)phenylboronic Acid
-
- MDL: MFCD18384143
- Inchi: 1S/C7H6BF3O3/c9-7(10,11)5-3-4(8(13)14)1-2-6(5)12/h1-3,12-14H
- InChI Key: GAQZFSBHSWBMRW-UHFFFAOYSA-N
- SMILES: FC(C1C(=CC=C(B(O)O)C=1)O)(F)F
Computed Properties
- Exact Mass: 206.03600
- Monoisotopic Mass: 206.0362087g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 197
- 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: 60.7
Experimental Properties
- PSA: 60.69000
- LogP: 0.09080
4-Hydroxy-3-(trifluoromethyl)phenylboronic Acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM122174-250mg |
(4-Hydroxy-3-(trifluoromethyl)phenyl)boronic acid |
1187874-94-7 | 95+% | 250mg |
$61 | 2021-08-05 | |
| Chemenu | CM122174-1g |
(4-Hydroxy-3-(trifluoromethyl)phenyl)boronic acid |
1187874-94-7 | 95+% | 1g |
$151 | 2021-08-05 | |
| Chemenu | CM122174-5g |
(4-Hydroxy-3-(trifluoromethyl)phenyl)boronic acid |
1187874-94-7 | 95+% | 5g |
$450 | 2021-08-05 | |
| Chemenu | CM122174-10g |
(4-Hydroxy-3-(trifluoromethyl)phenyl)boronic acid |
1187874-94-7 | 95+% | 10g |
$703 | 2021-08-05 | |
| TRC | H977528-100mg |
4-Hydroxy-3-(trifluoromethyl)phenylboronic Acid |
1187874-94-7 | 100mg |
$64.00 | 2023-05-18 | ||
| TRC | H977528-250mg |
4-Hydroxy-3-(trifluoromethyl)phenylboronic Acid |
1187874-94-7 | 250mg |
$87.00 | 2023-05-18 | ||
| TRC | H977528-500mg |
4-Hydroxy-3-(trifluoromethyl)phenylboronic Acid |
1187874-94-7 | 500mg |
$133.00 | 2023-05-18 | ||
| TRC | H977528-1g |
4-Hydroxy-3-(trifluoromethyl)phenylboronic Acid |
1187874-94-7 | 1g |
$ 150.00 | 2022-06-04 | ||
| Apollo Scientific | PC448021-250mg |
(4-Hydroxy-3-(trifluoromethyl)phenyl)boronic acid |
1187874-94-7 | 0.97 | 250mg |
£16.00 | 2025-02-21 | |
| Chemenu | CM122174-250mg |
(4-Hydroxy-3-(trifluoromethyl)phenyl)boronic acid |
1187874-94-7 | 95+% | 250mg |
$61 | 2022-06-14 |
4-Hydroxy-3-(trifluoromethyl)phenylboronic Acid Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
Additional information on 4-Hydroxy-3-(trifluoromethyl)phenylboronic Acid
4-Hydroxy-3-(trifluoromethyl)phenylboronic Acid (CAS 1187874-94-7): Properties, Applications, and Market Insights
4-Hydroxy-3-(trifluoromethyl)phenylboronic Acid (CAS 1187874-94-7) is an organoboron compound that has gained significant attention in pharmaceutical and material science research. This boronic acid derivative features both hydroxyl and trifluoromethyl functional groups, making it a versatile building block for various synthetic applications. The compound's molecular formula is C7H6BF3O3, with a molecular weight of 205.93 g/mol.
The unique combination of hydroxyl group and trifluoromethyl group in 4-Hydroxy-3-(trifluoromethyl)phenylboronic Acid provides distinct chemical properties that are valuable in modern organic synthesis. Researchers particularly value its role in Suzuki-Miyaura cross-coupling reactions, which are fundamental in creating complex molecular architectures for drug discovery and material development. The presence of the trifluoromethyl group enhances the compound's lipophilicity and metabolic stability, making it especially useful in medicinal chemistry applications.
Recent studies highlight the growing importance of 4-Hydroxy-3-(trifluoromethyl)phenylboronic Acid in developing PET (Positron Emission Tomography) imaging agents. The boronic acid moiety can form stable complexes with various diols and catechols, enabling its use in molecular imaging applications. This aligns with current research trends focusing on precision medicine and targeted therapies, where molecular imaging plays a crucial role in diagnosis and treatment monitoring.
In material science, 4-Hydroxy-3-(trifluoromethyl)phenylboronic Acid serves as a key intermediate for synthesizing fluorinated polymers and liquid crystal materials. The incorporation of fluorine atoms often improves thermal stability, chemical resistance, and optical properties of these materials. With the increasing demand for high-performance materials in electronics and display technologies, this compound has seen rising interest from both academic and industrial researchers.
The synthesis of 4-Hydroxy-3-(trifluoromethyl)phenylboronic Acid typically involves the borylation of halogenated precursors or direct functionalization of phenylboronic acids. Modern synthetic approaches emphasize green chemistry principles, aiming to reduce environmental impact while maintaining high yields and purity. These developments respond to the growing industry focus on sustainable chemical processes and reduced carbon footprint in chemical manufacturing.
Quality control for 4-Hydroxy-3-(trifluoromethyl)phenylboronic Acid involves rigorous analytical techniques including HPLC, NMR spectroscopy, and mass spectrometry. The compound typically appears as a white to off-white crystalline powder with high purity (>97%). Proper storage conditions (typically 2-8°C in a dry environment) are essential to maintain stability, as boronic acids can be sensitive to moisture and oxidation over time.
The global market for 4-Hydroxy-3-(trifluoromethyl)phenylboronic Acid has shown steady growth, driven by increasing R&D investments in pharmaceutical intermediates and advanced materials. Major suppliers have reported growing demand from North America and Asia-Pacific regions, particularly from contract research organizations and specialty chemical manufacturers. Pricing trends reflect the compound's status as a high-value fine chemical, with costs influenced by purity levels and order quantities.
Recent patent literature reveals expanding applications of 4-Hydroxy-3-(trifluoromethyl)phenylboronic Acid in developing kinase inhibitors and anticancer agents. The compound's ability to participate in various bioconjugation reactions makes it valuable for creating targeted drug delivery systems. These developments align with current pharmaceutical industry priorities focusing on personalized medicine and novel therapeutic modalities.
Safety considerations for handling 4-Hydroxy-3-(trifluoromethyl)phenylboronic Acid include standard laboratory precautions for organic compounds. While not classified as highly hazardous, appropriate personal protective equipment (gloves, safety glasses) is recommended during handling. The compound should be used in well-ventilated areas, following good laboratory practices. These precautions address growing industry concerns about chemical safety and occupational health in research environments.
Future research directions for 4-Hydroxy-3-(trifluoromethyl)phenylboronic Acid may explore its potential in bioorthogonal chemistry and click chemistry applications. The compound's structural features make it a promising candidate for developing new bioconjugation strategies and chemical biology tools. Such applications could further enhance its value in drug discovery and diagnostic development, particularly in emerging fields like theranostics (combined therapy and diagnostics).
For researchers considering 4-Hydroxy-3-(trifluoromethyl)phenylboronic Acid for their projects, it's important to evaluate the compound's compatibility with specific reaction conditions. The hydroxyl group may require protection in some synthetic schemes, while the boronic acid functionality needs consideration for potential protodeboronation under certain conditions. These practical aspects are frequently discussed in recent organic chemistry literature and forums.
In conclusion, 4-Hydroxy-3-(trifluoromethyl)phenylboronic Acid (CAS 1187874-94-7) represents a valuable synthetic building block with diverse applications across pharmaceutical and material sciences. Its unique combination of functional groups enables participation in various chemical transformations, while its structural features contribute to the development of advanced materials and bioactive compounds. As research continues to explore new applications for boronic acid derivatives, this compound is likely to maintain its importance in chemical research and development.
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