Cas no 705254-34-8 (Potassium 4-(Methoxycarbonyl) Phenyltrifluoroborate)
Potassium 4-(Methoxycarbonyl) Phenyltrifluoroborate Chemical and Physical Properties
Names and Identifiers
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- Borate(1-),trifluoro[4-(methoxycarbonyl)phenyl]-, potassium, (T-4)- (9CI)
- Potassium(4-Methoxycarbonyl)Trifluoroborate
- Potassium 4-(methoxycarbonyl)phenyltrifluoroborate
- POTASSIUM (4-METHOXYCARBONYLPHENYL)TRIFLUOROBORATE
- Potassium trifluoro[4-(methoxycarbonyl)-phenyl]boranuide
- potassium trifluoro[4-(methoxycarbonyl)phenyl]borate(1-)
- potassium,trifluoro-(4-methoxycarbonylphenyl)boranuide
- B-5313
- EN300-7390263
- potassium trifluoro-(4-methoxycarbonylphenyl)boranuide;Potassium 4-(methoxycarbonyl) phenyltrifluoroborate
- SCHEMBL2279383
- AS-2775
- DTXSID80635798
- AB20512
- AKOS005254861
- potassium;trifluoro-(4-methoxycarbonylphenyl)boranuide
- A836912
- MFCD04115741
- E85444
- POTASSIUM TRIFLUORO(4-(METHOXYCARBONYL)PHENYL)BORATE
- potassium trifluoro[4-(methoxycarbonyl)phenyl]boranuide
- C8H7BF3KO2
- 705254-34-8
- Potassium 4-(Methoxycarbonyl) Phenyltrifluoroborate
-
- MDL: MFCD04115741
- Inchi: 1S/C8H7BF3O2.K/c1-14-8(13)6-2-4-7(5-3-6)9(10,11)12;/h2-5H,1H3;/q-1;+1
- InChI Key: IQYSKWRPRJKKAG-UHFFFAOYSA-N
- SMILES: [K+].F[B-](C1C=CC(C(=O)OC)=CC=1)(F)F
Computed Properties
- Exact Mass: 242.01300
- Monoisotopic Mass: 242.013
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 214
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3A^2
Experimental Properties
- Melting Point: >300
- PSA: 26.30000
- LogP: 1.52760
Potassium 4-(Methoxycarbonyl) Phenyltrifluoroborate Security Information
- Signal Word:Warning
- Hazard Statement: H315; H319; H335
- Warning Statement: P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
- Safety Instruction: H303+H313+H333
-
Hazardous Material Identification:
- Storage Condition:Store at room temperature
Potassium 4-(Methoxycarbonyl) Phenyltrifluoroborate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB150700-1 g |
Potassium (4-methoxycarbonylphenyl)trifluoroborate, 95%; . |
705254-34-8 | 95% | 1 g |
€118.50 | 2023-07-20 | |
| abcr | AB150700-5 g |
Potassium (4-methoxycarbonylphenyl)trifluoroborate, 95%; . |
705254-34-8 | 95% | 5 g |
€305.50 | 2023-07-20 | |
| abcr | AB150700-25 g |
Potassium (4-methoxycarbonylphenyl)trifluoroborate, 95%; . |
705254-34-8 | 95% | 25 g |
€892.00 | 2023-07-20 | |
| AK Scientific | AMTB781-250mg |
Potassium 4-(methoxycarbonyl) phenyltrifluoroborate |
705254-34-8 | 95% | 250mg |
$21 | 2025-02-18 | |
| AK Scientific | AMTB781-1g |
Potassium 4-(methoxycarbonyl) phenyltrifluoroborate |
705254-34-8 | 95% | 1g |
$45 | 2025-02-18 | |
| AK Scientific | AMTB781-5g |
Potassium 4-(methoxycarbonyl) phenyltrifluoroborate |
705254-34-8 | 95% | 5g |
$155 | 2025-02-18 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | P886799-5g |
potassium trifluoro[4-(methoxycarbonyl)phenyl]borate(1-) |
705254-34-8 | 98% | 5g |
2,698.20 | 2021-05-17 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R030489-1g |
Potassium 4-(Methoxycarbonyl) Phenyltrifluoroborate |
705254-34-8 | 98% | 1g |
¥134 | 2024-05-22 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R030489-5g |
Potassium 4-(Methoxycarbonyl) Phenyltrifluoroborate |
705254-34-8 | 98% | 5g |
¥570 | 2024-05-22 | |
| A FA AI SHA , SAI MO FEI SHI ER KE JI QI XIA GONG SI | H52588-1g |
Potassium 4-(methoxycarbonyl)phenyltrifluoroborate, 96% |
705254-34-8 | 96% | 1g |
¥1686.00 | 2023-02-28 |
Potassium 4-(Methoxycarbonyl) Phenyltrifluoroborate Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
Additional information on Potassium 4-(Methoxycarbonyl) Phenyltrifluoroborate
Potassium 4-(Methoxycarbonyl) Phenyltrifluoroborate (CAS 705254-34-8): A Versatile Building Block in Modern Organic Synthesis
Potassium 4-(Methoxycarbonyl) Phenyltrifluoroborate (CAS 705254-34-8) is an organoboron compound that has gained significant attention in recent years due to its unique chemical properties and wide range of applications in pharmaceutical research, material science, and organic synthesis. This aryltrifluoroborate salt serves as a stable and convenient precursor for various cross-coupling reactions, making it particularly valuable in the development of novel drug candidates and functional materials.
The growing interest in Potassium 4-(Methoxycarbonyl) Phenyltrifluoroborate reflects current trends in green chemistry and sustainable synthesis methods. Researchers are increasingly focusing on boron-containing compounds as they often demonstrate improved stability, selectivity, and environmental compatibility compared to traditional organometallic reagents. The methoxycarbonyl phenyl moiety in this compound provides additional versatility, allowing for further functionalization through various organic transformations.
From a structural perspective, Potassium 4-(Methoxycarbonyl) Phenyltrifluoroborate consists of a phenyl ring substituted with both a methoxycarbonyl group at the para position and a trifluoroborate anion. This combination creates a molecule with interesting electronic properties that influence its reactivity in synthetic applications. The potassium counterion enhances the compound's solubility in polar solvents, which is particularly beneficial for many modern synthetic protocols.
In pharmaceutical research, CAS 705254-34-8 has emerged as a valuable building block for the synthesis of biologically active molecules. The compound's stability under various conditions makes it ideal for Suzuki-Miyaura cross-coupling reactions, one of the most widely used methods for forming carbon-carbon bonds in drug discovery. Recent studies have demonstrated its utility in creating novel anti-inflammatory agents and central nervous system targeting compounds, addressing current healthcare challenges.
The material science applications of Potassium 4-(Methoxycarbonyl) Phenyltrifluoroborate are equally impressive. Researchers are exploring its use in the development of organic electronic materials, particularly in the creation of novel semiconducting polymers and liquid crystal displays. The compound's ability to participate in efficient coupling reactions while maintaining thermal stability makes it attractive for these advanced applications that align with the growing demand for flexible electronics and energy-efficient display technologies.
From a synthetic chemistry perspective, one of the key advantages of Potassium 4-(Methoxycarbonyl) Phenyltrifluoroborate is its compatibility with various reaction conditions. Unlike some organoboron compounds that require strict anhydrous conditions, this aryltrifluoroborate salt demonstrates remarkable stability toward moisture and oxygen, significantly simplifying experimental procedures. This characteristic has made it particularly popular in industrial-scale applications where robustness and reproducibility are essential.
The environmental profile of CAS 705254-34-8 is another area of current research interest. Compared to traditional organotin or organosilicon reagents, boron-based compounds generally exhibit lower toxicity and better biodegradability. This aligns with the pharmaceutical industry's increasing focus on green chemistry principles and the development of more sustainable synthetic routes. Life cycle assessments of processes utilizing Potassium 4-(Methoxycarbonyl) Phenyltrifluoroborate have shown promising results in terms of reduced environmental impact.
Recent advancements in flow chemistry and continuous manufacturing have further highlighted the utility of Potassium 4-(Methoxycarbonyl) Phenyltrifluoroborate. Its stability and predictable reactivity make it well-suited for these modern production techniques that are revolutionizing chemical manufacturing. Pharmaceutical companies are particularly interested in these applications as they seek to implement more efficient and controlled synthesis processes for active pharmaceutical ingredients.
Quality control and analytical characterization of Potassium 4-(Methoxycarbonyl) Phenyltrifluoroborate have also seen significant improvements with advanced techniques such as NMR spectroscopy, mass spectrometry, and X-ray crystallography. These methods allow for precise determination of purity and structure, which is crucial for ensuring reproducible results in both research and industrial applications. The development of standardized analytical protocols has contributed to the compound's growing acceptance in regulated industries.
Looking toward the future, researchers are exploring novel derivatives and analogs of CAS 705254-34-8 to expand its utility further. Modifications to the methoxycarbonyl group or exploration of different aryl substituents may yield compounds with enhanced properties for specific applications. These investigations are part of broader efforts to develop more efficient and selective reagents for complex molecular constructions.
The commercial availability of Potassium 4-(Methoxycarbonyl) Phenyltrifluoroborate has improved significantly in recent years, reflecting its growing importance in synthetic chemistry. Multiple suppliers now offer this compound in various quantities and purity grades, making it accessible to both academic researchers and industrial chemists. This increased availability has facilitated its adoption across different sectors of chemical research and development.
In educational settings, Potassium 4-(Methoxycarbonyl) Phenyltrifluoroborate serves as an excellent example for teaching modern synthetic methodologies. Its use in cross-coupling reactions provides students with hands-on experience in important contemporary chemical transformations while demonstrating principles of atom economy and reaction efficiency. Several university laboratories have incorporated this compound into their advanced organic chemistry curricula.
Safety considerations for handling CAS 705254-34-8 are generally straightforward, following standard laboratory practices for organoboron compounds. While not classified as highly hazardous, proper personal protective equipment and adequate ventilation are recommended when working with this material. The compound's stability contributes to its safety profile, reducing risks associated with decomposition or unexpected reactivity during storage and use.
As research continues, the potential applications of Potassium 4-(Methoxycarbonyl) Phenyltrifluoroborate are expected to expand further. Current investigations into its use in bioconjugation chemistry, catalysis, and materials science suggest that this compound will remain an important tool in chemical research for years to come. Its combination of stability, reactivity, and versatility makes it particularly valuable in addressing contemporary challenges across multiple scientific disciplines.
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