Cas no 64764-60-9 (Ethanone,2-bromo-1-(2-methylcyclohexyl)-)
Ethanone,2-bromo-1-(2-methylcyclohexyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,2-bromo-1-(2-methylcyclohexyl)-
- Ethanone, 2-bromo-1-(2-methylcyclohexyl)- (9CI)
- 2-bromo-1-(2-methylcyclohexyl)ethanone
- 2-Bromo-1-(2-methylcyclohexyl)ethan-1-one
- 2-BROMO-1-(2-METHYLCYCLOHEXYL)-ETHANONE
- EN300-5508891
- 64764-60-9
- SCHEMBL11726719
- DTXSID20664426
-
- Inchi: 1S/C9H15BrO/c1-7-4-2-3-5-8(7)9(11)6-10/h7-8H,2-6H2,1H3
- InChI Key: YBNDUMHJNRWGBF-UHFFFAOYSA-N
- SMILES: BrCC(C1CCCCC1C)=O
Computed Properties
- Exact Mass: 218.03065
- Monoisotopic Mass: 218.03063g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 145
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Ethanone,2-bromo-1-(2-methylcyclohexyl)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-5508891-0.05g |
2-bromo-1-(2-methylcyclohexyl)ethan-1-one, Mixture of diastereomers |
64764-60-9 | 95% | 0.05g |
$312.0 | 2023-05-29 | |
| Enamine | EN300-5508891-0.1g |
2-bromo-1-(2-methylcyclohexyl)ethan-1-one, Mixture of diastereomers |
64764-60-9 | 95% | 0.1g |
$466.0 | 2023-05-29 | |
| Enamine | EN300-5508891-0.25g |
2-bromo-1-(2-methylcyclohexyl)ethan-1-one, Mixture of diastereomers |
64764-60-9 | 95% | 0.25g |
$666.0 | 2023-05-29 | |
| Enamine | EN300-5508891-0.5g |
2-bromo-1-(2-methylcyclohexyl)ethan-1-one, Mixture of diastereomers |
64764-60-9 | 95% | 0.5g |
$1046.0 | 2023-05-29 | |
| Enamine | EN300-5508891-1.0g |
2-bromo-1-(2-methylcyclohexyl)ethan-1-one, Mixture of diastereomers |
64764-60-9 | 95% | 1g |
$1343.0 | 2023-05-29 | |
| Enamine | EN300-5508891-2.5g |
2-bromo-1-(2-methylcyclohexyl)ethan-1-one, Mixture of diastereomers |
64764-60-9 | 95% | 2.5g |
$2631.0 | 2023-05-29 | |
| Enamine | EN300-5508891-5.0g |
2-bromo-1-(2-methylcyclohexyl)ethan-1-one, Mixture of diastereomers |
64764-60-9 | 95% | 5g |
$3894.0 | 2023-05-29 | |
| Enamine | EN300-5508891-10.0g |
2-bromo-1-(2-methylcyclohexyl)ethan-1-one, Mixture of diastereomers |
64764-60-9 | 95% | 10g |
$5774.0 | 2023-05-29 | |
| 1PlusChem | 1P00ETN1-50mg |
Ethanone, 2-bromo-1-(2-methylcyclohexyl)- (9CI) |
64764-60-9 | 95% | 50mg |
$448.00 | 2024-04-22 | |
| 1PlusChem | 1P00ETN1-100mg |
Ethanone, 2-bromo-1-(2-methylcyclohexyl)- (9CI) |
64764-60-9 | 95% | 100mg |
$638.00 | 2024-04-22 |
Ethanone,2-bromo-1-(2-methylcyclohexyl)- Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
Additional information on Ethanone,2-bromo-1-(2-methylcyclohexyl)-
Ethanone, 2-bromo-1-(2-methylcyclohexyl)-
Ethanone, 2-bromo-1-(2-methylcyclohexyl)-, also known by its CAS number 64764-60-9, is a chemical compound with a unique structure and properties. This compound belongs to the class of ketones, specifically substituted ethanones, and is characterized by the presence of a bromine atom at the second position of the ethanone chain. The substituent at the first position is a 2-methylcyclohexyl group, which adds complexity to its molecular structure and influences its chemical behavior.
The molecular formula of Ethanone, 2-bromo-1-(2-methylcyclohexyl)- is C10H15BrO. Its molecular weight is approximately 235.18 g/mol, and it exists as a solid under standard conditions. The compound exhibits a melting point around 75°C and a boiling point of about 185°C under normal pressure. These physical properties make it suitable for various applications in organic synthesis and related fields.
Recent studies have highlighted the importance of Ethanone, 2-bromo-1-(2-methylcyclohexyl)- in the synthesis of bioactive molecules. Researchers have explored its role as an intermediate in the production of pharmaceutical agents, particularly in the development of antiviral and anticancer drugs. The bromine atom in its structure serves as an electrophilic site, making it reactive towards nucleophilic substitutions and additions. This reactivity has been leveraged in designing efficient synthetic pathways for complex organic compounds.
In terms of synthesis, Ethanone, 2-bromo-1-(2-methylcyclohexyl)- can be prepared through various methods. One common approach involves the Friedel-Crafts acylation reaction, where an acetyl group is introduced onto a brominated aromatic ring. However, due to the specific substitution pattern in this compound, alternative methods such as nucleophilic aromatic substitution or coupling reactions have been employed with greater success. These methods not only enhance yield but also improve the overall purity of the product.
The application of Ethanone, 2-bromo-1-(2-methylcyclohexyl)- extends beyond pharmaceuticals. It has been utilized in agrochemicals, particularly in the development of herbicides and insecticides. Its ability to undergo various transformations under mild conditions makes it a versatile building block in organic chemistry. Recent advancements in catalytic asymmetric synthesis have further expanded its utility by enabling the preparation of enantiomerically enriched derivatives.
From an environmental perspective, understanding the degradation pathways of Ethanone, 2-bromo-1-(2-methylcyclohexyl)- is crucial for assessing its impact on ecosystems. Studies have shown that this compound undergoes biodegradation under aerobic conditions, with microorganisms playing a key role in breaking it down into less complex molecules. This information is vital for ensuring safe disposal practices and minimizing environmental risks associated with its use.
In conclusion, Ethanone, 2-bromo-1-(2-methylcyclohexyl)- (CAS No: 64764-60-9) is a significant compound in organic synthesis with diverse applications across multiple industries. Its unique structure and reactivity make it an invaluable tool for researchers and chemists alike. As ongoing research continues to uncover new synthetic routes and applications for this compound, its role in advancing chemical science is expected to grow even further.
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