Cas no 1824063-52-6 (2-(3-Bromo-2-methyl-phenylsulfanyl)-ethanol)
2-(3-Bromo-2-methyl-phenylsulfanyl)-ethanol Chemical and Physical Properties
Names and Identifiers
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- 2-(3-Bromo-2-methyl-phenylsulfanyl)-ethanol
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- MDL: MFCD28125478
- Inchi: 1S/C9H11BrOS/c1-7-8(10)3-2-4-9(7)12-6-5-11/h2-4,11H,5-6H2,1H3
- InChI Key: HLFDYHASLGCCSK-UHFFFAOYSA-N
- SMILES: BrC1=CC=CC(=C1C)SCCO
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 132
- Topological Polar Surface Area: 45.5
2-(3-Bromo-2-methyl-phenylsulfanyl)-ethanol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB403748-1 g |
2-(3-Bromo-2-methyl-phenylsulfanyl)-ethanol |
1824063-52-6 | 1g |
€511.10 | 2023-04-25 | ||
| TRC | B115685-250mg |
2-(3-Bromo-2-methyl-phenylsulfanyl)-ethanol |
1824063-52-6 | 250mg |
$ 745.00 | 2022-06-07 | ||
| TRC | B115685-500mg |
2-(3-Bromo-2-methyl-phenylsulfanyl)-ethanol |
1824063-52-6 | 500mg |
$ 1235.00 | 2022-06-07 | ||
| abcr | AB403748-1g |
2-(3-Bromo-2-methyl-phenylsulfanyl)-ethanol; . |
1824063-52-6 | 1g |
€511.10 | 2025-02-17 | ||
| abcr | AB403748-5g |
2-(3-Bromo-2-methyl-phenylsulfanyl)-ethanol; . |
1824063-52-6 | 5g |
€1448.40 | 2025-02-17 |
2-(3-Bromo-2-methyl-phenylsulfanyl)-ethanol Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
Additional information on 2-(3-Bromo-2-methyl-phenylsulfanyl)-ethanol
Comprehensive Guide to 2-(3-Bromo-2-methyl-phenylsulfanyl)-ethanol (CAS No. 1824063-52-6): Properties, Applications, and Market Insights
2-(3-Bromo-2-methyl-phenylsulfanyl)-ethanol (CAS No. 1824063-52-6) is a specialized organosulfur compound with a unique molecular structure that combines a brominated aromatic ring with a thioether-linked ethanol moiety. This compound has garnered significant attention in recent years due to its versatile applications in pharmaceutical intermediates, material science, and organic synthesis. Researchers and industry professionals frequently search for information about its synthesis methods, spectral data, and commercial availability, making it a trending topic in chemical databases and research forums.
The molecular formula of 2-(3-Bromo-2-methyl-phenylsulfanyl)-ethanol is C9H11BrOS, with a molecular weight of 247.15 g/mol. Its structure features a 3-bromo-2-methylphenyl group connected to a 2-hydroxyethylsulfanyl moiety, creating a hybrid molecule with both hydrophobic and hydrophilic properties. This unique balance makes it particularly valuable in drug design, where researchers explore its potential as a building block for targeted therapeutics. Recent studies have investigated its role in developing enzyme inhibitors, with particular interest in its structure-activity relationships (SAR) for various biological targets.
In the field of material chemistry, 2-(3-Bromo-2-methyl-phenylsulfanyl)-ethanol serves as a precursor for functionalized polymers and surface modifiers. Its ability to introduce both aromatic and polar groups makes it valuable for creating advanced materials with tailored properties. The compound's bromine atom provides an excellent handle for further cross-coupling reactions, particularly in palladium-catalyzed transformations that are central to modern organic electronics and conjugated materials.
The synthesis of 2-(3-Bromo-2-methyl-phenylsulfanyl)-ethanol typically involves the nucleophilic substitution of 3-bromo-2-methylbenzenethiol with 2-chloroethanol or similar reagents. Recent advancements in green chemistry have explored more sustainable routes using catalytic methods and microwave-assisted synthesis, addressing growing concerns about environmental impact in chemical manufacturing. Analytical characterization typically includes NMR spectroscopy (both 1H and 13C), mass spectrometry, and HPLC purity analysis to ensure quality for research applications.
Market trends indicate increasing demand for 2-(3-Bromo-2-methyl-phenylsulfanyl)-ethanol in both academic and industrial settings. Pharmaceutical companies particularly value its potential in developing small molecule drugs, while material scientists appreciate its utility in creating functional surfaces and smart materials. The compound's commercial availability has expanded in recent years, with several specialty chemical suppliers now offering it in research quantities. Pricing varies based on purity (typically 95-98%) and scale, with current research focusing on more cost-effective production methods.
Safety considerations for handling 2-(3-Bromo-2-methyl-phenylsulfanyl)-ethanol follow standard laboratory protocols for organobromine compounds. While not classified as highly hazardous, proper personal protective equipment (PPE) including gloves and eye protection is recommended. Storage typically requires protection from light and moisture at room temperature. Researchers should consult the Safety Data Sheet (SDS) for specific handling instructions and disposal guidelines.
Future research directions for 2-(3-Bromo-2-methyl-phenylsulfanyl)-ethanol include exploring its potential in bioconjugation chemistry and as a linker in prodrug design. The compound's unique structure makes it particularly interesting for developing targeted drug delivery systems, especially in oncology research. Additionally, its applications in organic semiconductors and conductive polymers represent promising avenues for material science innovation. As synthetic methodologies continue to advance, we anticipate broader adoption of this versatile building block across multiple scientific disciplines.
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