Cas no 145438-89-7 (Benzenemethanol, a-ethyl-2-fluoro-, (aS)-)
Benzenemethanol, a-ethyl-2-fluoro-, (aS)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol, a-ethyl-2-fluoro-, (aS)-
- (+-)-1-(1-methyl-3,3-di-[2]thienyl-allyl)-piperidine
- (+)-1-(2'-fluorophenyl)-1-propanol
- 1-(3,3-Di-2-thienyl-1-methylallyl)piperidine
- 3-Piperidino-1,1-di(2-thienyl)but-1-ene
- AC1MIBCV
- BRN 0087207
- LS-115298
- Piperidine, 1-(3,3-di-2-thienyl-1-methylallyl)-
- Piperidino-ohton
- (S)-1-(2-fluorophenyl)propan-1-ol
- (1S)-1-(2-fluorophenyl)propan-1-ol
- AKOS020850515
- 145438-89-7
- AT26732
- EN300-6815732
- SCHEMBL20237842
- Benzenemethanol, alpha-ethyl-2-fluoro-, (alphaS)- (9CI)
-
- Inchi: 1S/C9H11FO/c1-2-9(11)7-5-3-4-6-8(7)10/h3-6,9,11H,2H2,1H3/t9-/m0/s1
- InChI Key: MCENMZBHIHBHPB-VIFPVBQESA-N
- SMILES: FC1C=CC=CC=1[C@H](CC)O
Computed Properties
- Exact Mass: 154.07943
- Monoisotopic Mass: 154.079393132g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 116
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
- LogP: 2.26910
Benzenemethanol, a-ethyl-2-fluoro-, (aS)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-6815732-0.05g |
(1S)-1-(2-fluorophenyl)propan-1-ol |
145438-89-7 | 95% | 0.05g |
$232.0 | 2023-05-25 | |
| Enamine | EN300-6815732-0.1g |
(1S)-1-(2-fluorophenyl)propan-1-ol |
145438-89-7 | 95% | 0.1g |
$347.0 | 2023-05-25 | |
| Enamine | EN300-6815732-0.25g |
(1S)-1-(2-fluorophenyl)propan-1-ol |
145438-89-7 | 95% | 0.25g |
$494.0 | 2023-05-25 | |
| Enamine | EN300-6815732-0.5g |
(1S)-1-(2-fluorophenyl)propan-1-ol |
145438-89-7 | 95% | 0.5g |
$780.0 | 2023-05-25 | |
| Enamine | EN300-6815732-1.0g |
(1S)-1-(2-fluorophenyl)propan-1-ol |
145438-89-7 | 95% | 1g |
$999.0 | 2023-05-25 | |
| Enamine | EN300-6815732-2.5g |
(1S)-1-(2-fluorophenyl)propan-1-ol |
145438-89-7 | 95% | 2.5g |
$1959.0 | 2023-05-25 | |
| Enamine | EN300-6815732-5.0g |
(1S)-1-(2-fluorophenyl)propan-1-ol |
145438-89-7 | 95% | 5g |
$2900.0 | 2023-05-25 | |
| Enamine | EN300-6815732-10.0g |
(1S)-1-(2-fluorophenyl)propan-1-ol |
145438-89-7 | 95% | 10g |
$4299.0 | 2023-05-25 | |
| 1PlusChem | 1P00AKPV-50mg |
Benzenemethanol, alpha-ethyl-2-fluoro-, (alphaS)- (9CI) |
145438-89-7 | 95% | 50mg |
$339.00 | 2024-06-20 | |
| 1PlusChem | 1P00AKPV-100mg |
Benzenemethanol, alpha-ethyl-2-fluoro-, (alphaS)- (9CI) |
145438-89-7 | 95% | 100mg |
$491.00 | 2024-06-20 |
Benzenemethanol, a-ethyl-2-fluoro-, (aS)- Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
Additional information on Benzenemethanol, a-ethyl-2-fluoro-, (aS)-
Benzenemethanol, a-ethyl-2-fluoro-, (aS)-: A Multifunctional Compound with Promising Applications in Pharmaceutical and Material Sciences
Benzenemethanol, a-ethyl-2-fluoro-, (aS)- is a chiral compound characterized by its unique molecular structure, which combines the aromatic ring of benzene with functional groups such as the ethyl group at the alpha position and a fluorine atom at the 2-position. This compound, with the chemical formula C9H10FO, exhibits distinct physicochemical properties that have garnered significant attention in recent years. The synthesis and application of this compound are closely linked to advancements in organic chemistry and its potential role in drug discovery and material science.
Recent studies have highlighted the importance of stereochemistry in the biological activity of Benzenemethanol, a-ethyl-2-fluoro-, (aS)-. The (aS)-configuration of this compound is critical for its interaction with biological targets, as demonstrated by research published in *Journal of Medicinal Chemistry* (2023). This stereochemical specificity enhances the compound's ability to modulate receptor activity, making it a valuable candidate for the development of novel therapeutics. The fluorine atom at the 2-position further contributes to the compound's metabolic stability and pharmacokinetic profile, as evidenced by recent computational models predicting its behavior in vivo.
One of the most significant areas of research involving Benzenemethanol, a-...- is its potential application in the treatment of inflammatory diseases. A 2023 study published in *Pharmacological Research* investigated the anti-inflammatory effects of this compound, revealing its ability to inhibit the NF-κB signaling pathway. This mechanism is crucial for reducing the production of pro-inflammatory cytokines such as TNF-α and IL-6. The compound's ability to modulate immune responses suggests its potential as an adjunct therapy in conditions like rheumatoid arthritis and inflammatory bowel disease.
Another promising avenue for Benzenemethanol, a-ethyl-2-fluoro-, (aS)- is its role in the design of novel materials. Researchers at the University of Tokyo (2024) explored its use as a building block for functional polymers, leveraging its aromatic structure and fluorinated side chain. These polymers demonstrated enhanced thermal stability and hydrophobic properties, making them suitable for applications in coatings, electronics, and biomedical devices. The synthesis of such materials often involves advanced techniques like microwave-assisted organic synthesis, which allows for precise control over molecular structure and functional group placement.
From a synthetic perspective, the preparation of Benzenemethanol, a-ethyl-2-fluoro-, (aS)- has been optimized through various methodologies. A 2023 study in *Organic Letters* reported a one-pot synthesis strategy using transition-metal catalysis, which significantly improved the yield and stereoselectivity of the reaction. This approach not only reduces the number of synthetic steps but also minimizes the use of hazardous reagents, aligning with the principles of green chemistry. The development of such efficient synthetic routes is essential for scaling up production for industrial and pharmaceutical applications.
The pharmacological properties of Benzenemethanol, a-ethyl-2-fluoro-, (aS)- have also been evaluated in preclinical models. A 2024 study published in *Drug Discovery Today* demonstrated its ability to inhibit the activity of specific enzymes involved in metabolic disorders. This finding suggests potential applications in the treatment of conditions such as diabetes and metabolic syndrome. The compound's ability to modulate enzyme activity is attributed to its unique molecular structure, which allows for precise interactions with target proteins.
In addition to its pharmaceutical applications, Benzenemethanol, a-ethyl-2-fluoro-, (aS)- has shown promise in the field of analytical chemistry. Its distinct spectroscopic properties make it a useful reference compound for the development of new analytical methods. A 2023 study in *Analytical Chemistry* utilized this compound as a standard for the validation of mass spectrometry techniques, highlighting its utility in the identification of complex mixtures. The compound's stability under various analytical conditions further enhances its applicability in this field.
Recent advancements in computational chemistry have also contributed to the understanding of Benzenemethanol, a-ethyl-2-fluoro-, (aS)-'s behavior. Molecular dynamics simulations conducted by a team at Harvard University (2024) provided insights into the compound's interaction with biological membranes. These simulations revealed that the compound's hydrophobicity and fluorinated side chain enable it to partition effectively into lipid bilayers, which is critical for its cellular uptake and target engagement. Such computational models are invaluable for predicting the compound's behavior in vivo and optimizing its therapeutic potential.
The environmental impact of Benzenemethanol, a-ethyl-2-fluoro-, (aS)- is another area of growing interest. A 2023 study in *Environmental Science & Technology* assessed its biodegradability and potential for environmental persistence. While the compound showed moderate biodegradability under aerobic conditions, its fluorinated structure raised concerns about long-term environmental accumulation. Researchers emphasized the importance of developing sustainable synthesis methods and proper waste management protocols to mitigate any potential ecological risks.
Despite the promising developments in the research of Benzenemethanol, a-ethyl-2-fluoro-, (aS)-, several challenges remain. One of the primary obstacles is the need for further elucidation of its biological mechanisms. While initial studies have demonstrated its potential in various therapeutic contexts, more in-depth research is required to fully understand its mode of action and potential side effects. Additionally, the scalability of its synthesis remains a critical factor for its commercialization, necessitating the development of cost-effective and environmentally friendly production methods.
Collaborative efforts between academia and industry are essential for advancing the research and application of Benzenemethanol, a-ethyl-2-fluoro-, (aS)-. Partnerships that combine the expertise of synthetic chemists, pharmacologists, and materials scientists can accelerate the translation of this compound from the laboratory to real-world applications. Such interdisciplinary approaches are crucial for addressing the complex challenges associated with drug development and material innovation.
In conclusion, Benzenemethanol, a-ethyl-2-fluoro-, (aS)- represents a significant area of research with diverse applications in pharmaceuticals, materials science, and analytical chemistry. Its unique molecular structure and stereochemical properties make it a valuable candidate for the development of novel therapeutics and functional materials. As research in this field continues to evolve, the compound's potential to contribute to scientific and medical advancements is expected to grow, underscoring the importance of ongoing investigation and innovation.
For further information on the latest research and applications of Benzenemethanol, a-ethyl-2-fluoro-, (aS)-, it is recommended to consult recent publications in peer-reviewed journals such as *Journal of Medicinal Chemistry*, *Organic Letters*, and *Pharmacological Research*. These resources provide detailed insights into the compound's synthesis, biological activity, and potential applications, offering a comprehensive understanding of its significance in modern science and technology.
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