Cas no 812631-87-1 (1-(2-Bromoethyl)-2-ethylbenzene)
1-(2-Bromoethyl)-2-ethylbenzene Chemical and Physical Properties
Names and Identifiers
-
- INDEX NAME NOT YET ASSIGNED
- 1-(2-bromoethyl)-2-ethylbenzene
- NE28574
- 812631-87-1
- AKOS014196915
- CS-0237342
- SCHEMBL6481917
- EN300-182563
- 1-(2-Bromoethyl)-2-ethylbenzene
-
- Inchi: 1S/C10H13Br/c1-2-9-5-3-4-6-10(9)7-8-11/h3-6H,2,7-8H2,1H3
- InChI Key: AMQPULMQCZXNPM-UHFFFAOYSA-N
- SMILES: BrCCC1C=CC=CC=1CC
Computed Properties
- Exact Mass: 212.02
- Monoisotopic Mass: 212.02
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 101
- 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
- XLogP3: 3.9
- Topological Polar Surface Area: 0
1-(2-Bromoethyl)-2-ethylbenzene Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
1-(2-Bromoethyl)-2-ethylbenzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B614875-10mg |
1-(2-bromoethyl)-2-ethylbenzene |
812631-87-1 | 10mg |
$ 50.00 | 2022-04-02 | ||
| TRC | B614875-50mg |
1-(2-bromoethyl)-2-ethylbenzene |
812631-87-1 | 50mg |
$ 210.00 | 2022-04-02 | ||
| TRC | B614875-100mg |
1-(2-bromoethyl)-2-ethylbenzene |
812631-87-1 | 100mg |
$ 295.00 | 2022-04-02 | ||
| Enamine | EN300-182563-0.1g |
1-(2-bromoethyl)-2-ethylbenzene |
812631-87-1 | 95% | 0.1g |
$272.0 | 2023-09-19 | |
| Enamine | EN300-182563-0.25g |
1-(2-bromoethyl)-2-ethylbenzene |
812631-87-1 | 95% | 0.25g |
$389.0 | 2023-09-19 | |
| Enamine | EN300-182563-0.5g |
1-(2-bromoethyl)-2-ethylbenzene |
812631-87-1 | 95% | 0.5g |
$613.0 | 2023-09-19 | |
| Enamine | EN300-182563-1.0g |
1-(2-bromoethyl)-2-ethylbenzene |
812631-87-1 | 95% | 1g |
$785.0 | 2023-06-08 | |
| Enamine | EN300-182563-2.5g |
1-(2-bromoethyl)-2-ethylbenzene |
812631-87-1 | 95% | 2.5g |
$1539.0 | 2023-09-19 | |
| Enamine | EN300-182563-5.0g |
1-(2-bromoethyl)-2-ethylbenzene |
812631-87-1 | 95% | 5g |
$2277.0 | 2023-06-08 | |
| Enamine | EN300-182563-10.0g |
1-(2-bromoethyl)-2-ethylbenzene |
812631-87-1 | 95% | 10g |
$3376.0 | 2023-06-08 |
1-(2-Bromoethyl)-2-ethylbenzene Related Literature
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
5. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
Additional information on 1-(2-Bromoethyl)-2-ethylbenzene
Chemical Profile of 1-(2-Bromoethyl)-2-ethylbenzene (CAS No. 812631-87-1)
1-(2-Bromoethyl)-2-ethylbenzene, identified by the Chemical Abstracts Service Number (CAS No.) 812631-87-1, is a significant compound in the realm of organic chemistry and pharmaceutical research. This aromatic hydrocarbon derivative features a unique structural configuration that makes it a valuable intermediate in synthetic chemistry and a potential candidate for various industrial applications. The presence of both bromo and ethyl substituents on a benzene ring imparts distinct reactivity, enabling diverse chemical transformations that are of great interest to researchers.
The molecular structure of 1-(2-Bromoethyl)-2-ethylbenzene consists of a benzene core substituted at the 2-position with a 2-bromoethyl group and at the 4-position with an ethyl group. This specific arrangement enhances its utility in cross-coupling reactions, such as Suzuki-Miyaura and Buchwald-Hartwig couplings, which are pivotal in constructing complex organic molecules. The bromo substituent, in particular, serves as an excellent handle for palladium-catalyzed reactions, facilitating the introduction of various functional groups into the molecule.
In recent years, there has been growing interest in the applications of 1-(2-Bromoethyl)-2-ethylbenzene in pharmaceutical synthesis. Its structural features make it a versatile building block for the preparation of biologically active compounds. For instance, researchers have explored its use in generating substituted phenols and polyaromatic systems, which are common motifs in drug discovery. The compound’s ability to undergo selective functionalization has opened new avenues for developing novel therapeutic agents targeting various diseases.
One notable area where 1-(2-Bromoethyl)-2-ethylbenzene has shown promise is in the synthesis of pharmacophores that mimic natural products. By leveraging its reactivity, scientists have been able to create derivatives with enhanced binding affinity to biological targets. These derivatives are being investigated for their potential as inhibitors or modulators of enzymes and receptors involved in metabolic disorders, neurodegenerative diseases, and cancer. The ethyl group on the benzene ring contributes to steric hindrance, which can be fine-tuned to optimize interactions with biological macromolecules.
The compound’s role in material science is also noteworthy. Its aromatic nature and halogen substituents make it suitable for polymer modifications and the development of advanced materials with tailored properties. For example, incorporating 1-(2-Bromoethyl)-2-ethylbenzene into polymer backbones can enhance thermal stability and mechanical strength, making it useful in high-performance coatings and composites. Additionally, its fluorescence properties have been explored in the design of luminescent materials for optoelectronic applications.
From an environmental perspective, the synthesis and handling of 1-(2-Bromoethyl)-2-ethylbenzene must adhere to stringent safety protocols due to its reactivity and potential health hazards. While it is not classified as a hazardous substance under standard regulations, proper ventilation and protective equipment are essential when working with this compound. Recent advancements in green chemistry have prompted researchers to develop more sustainable synthetic routes for producing 1-(2-Bromoethyl)-2-ethylbenzene, minimizing waste generation and reducing energy consumption.
The future prospects of 1-(2-Bromoethyl)-2-ethylbenzene are vast, particularly as new methodologies emerge that expand its synthetic utility. Innovations in catalysis and flow chemistry are expected to further enhance its accessibility and scalability for industrial applications. Moreover, interdisciplinary collaborations between organic chemists, pharmacologists, and materials scientists will continue to drive novel discoveries based on this versatile compound.
In conclusion, 1-(2-Bromoethyl)-2-ethylbenzene (CAS No. 812631-87-1) represents a cornerstone in modern chemical research, bridging the gap between fundamental organic chemistry and applied science. Its unique structural attributes and reactivity make it indispensable in pharmaceutical development, material innovation, and synthetic chemistry. As research progresses, we can anticipate even more groundbreaking applications emerging from this remarkable compound.
812631-87-1 (1-(2-Bromoethyl)-2-ethylbenzene) Related Products
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
- 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)