Cas no 54260-84-3 (Ethyl 3-bromo-4-oxopentanoate)
Ethyl 3-bromo-4-oxopentanoate Chemical and Physical Properties
Names and Identifiers
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- Ethyl 3-bromo-4-oxopentanoate
- 3-BROMO-4-OXO-PENTANOIC ACID ETHYL ESTER
- 3-Brom-4-oxo-valeriansaeure-aethylester
- 3-bromo-4-oxopentanoic acid ethyl ester
- 3-bromo-4-oxo-valeric acid ethyl ester
- Pentanoic acid,3-bromo-4-oxo-,ethyl ester
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- MDL: MFCD08272119
- Inchi: InChI=1S/C7H11BrO3/c1-3-11-7(10)4-6(8)5(2)9/h6H,3-4H2,1-2H3
- InChI Key: JMBHNRDFFCWPHT-UHFFFAOYSA-N
- SMILES: CCOC(=O)CC(C(=O)C)Br
Computed Properties
- Exact Mass: 221.98900
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
Experimental Properties
- PSA: 43.37000
- LogP: 1.29210
Ethyl 3-bromo-4-oxopentanoate Customs Data
- HS CODE:2918300090
- Customs Data:
China Customs Code:
2918300090Overview:
2918300090 Other aldehydes or ketones without other oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%
Ethyl 3-bromo-4-oxopentanoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | E903385-25mg |
ethyl 3-bromo-4-oxopentanoate |
54260-84-3 | 25mg |
$ 50.00 | 2022-06-05 | ||
| TRC | E903385-50mg |
ethyl 3-bromo-4-oxopentanoate |
54260-84-3 | 50mg |
$ 70.00 | 2022-06-05 | ||
| TRC | E903385-250mg |
ethyl 3-bromo-4-oxopentanoate |
54260-84-3 | 250mg |
$ 295.00 | 2022-06-05 | ||
| Enamine | EN300-211894-0.05g |
ethyl 3-bromo-4-oxopentanoate |
54260-84-3 | 95% | 0.05g |
$65.0 | 2023-09-16 | |
| Enamine | EN300-211894-0.1g |
ethyl 3-bromo-4-oxopentanoate |
54260-84-3 | 95% | 0.1g |
$96.0 | 2023-09-16 | |
| Enamine | EN300-211894-0.25g |
ethyl 3-bromo-4-oxopentanoate |
54260-84-3 | 95% | 0.25g |
$136.0 | 2023-09-16 | |
| Enamine | EN300-211894-0.5g |
ethyl 3-bromo-4-oxopentanoate |
54260-84-3 | 95% | 0.5g |
$256.0 | 2023-09-16 | |
| Enamine | EN300-211894-1.0g |
ethyl 3-bromo-4-oxopentanoate |
54260-84-3 | 95% | 1g |
$355.0 | 2023-06-08 | |
| Enamine | EN300-211894-2.5g |
ethyl 3-bromo-4-oxopentanoate |
54260-84-3 | 95% | 2.5g |
$697.0 | 2023-09-16 | |
| Enamine | EN300-211894-5.0g |
ethyl 3-bromo-4-oxopentanoate |
54260-84-3 | 95% | 5g |
$1033.0 | 2023-06-08 |
Ethyl 3-bromo-4-oxopentanoate Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
Additional information on Ethyl 3-bromo-4-oxopentanoate
Ethyl 3-bromo-4-oxopentanoate (CAS No. 54260-84-3): A Key Intermediate in Modern Chemical Synthesis
Ethyl 3-bromo-4-oxopentanoate (CAS No. 54260-84-3) is a versatile and highly valuable compound in the field of organic synthesis, particularly in the pharmaceutical and agrochemical industries. This ester derivative, characterized by its brominated and carbonyl-functionalized structure, serves as a crucial intermediate in the synthesis of complex molecules. Its unique chemical properties make it an indispensable tool for researchers aiming to develop novel compounds with significant biological activity.
The compound's molecular structure, consisting of a five-carbon chain with a bromine atom at the third position and a carbonyl group at the fourth position, endows it with distinct reactivity. The presence of these functional groups allows for diverse chemical transformations, making it an excellent candidate for constructing more intricate molecular architectures. In recent years, Ethyl 3-bromo-4-oxopentanoate has garnered attention for its role in the synthesis of active pharmaceutical ingredients (APIs) and specialty chemicals.
One of the most compelling applications of Ethyl 3-bromo-4-oxopentanoate is in the development of bioactive molecules. Its structural features facilitate the introduction of various substituents, enabling the creation of compounds with targeted biological effects. For instance, researchers have leveraged this intermediate to synthesize novel inhibitors targeting specific enzymes involved in metabolic pathways. These inhibitors hold promise for treating a range of diseases, including metabolic disorders and inflammatory conditions.
The pharmaceutical industry has been particularly interested in exploring the potential of Ethyl 3-bromo-4-oxopentanoate due to its ability to serve as a building block for more complex drug candidates. By modifying its structure through nucleophilic substitution or condensation reactions, scientists can generate derivatives with enhanced pharmacological properties. Recent studies have demonstrated its utility in constructing heterocyclic compounds, which are known for their broad spectrum of biological activities.
In addition to pharmaceutical applications, Ethyl 3-bromo-4-oxopentanoate finds utility in agrochemical research. Its reactivity allows for the synthesis of herbicides and pesticides with improved efficacy and reduced environmental impact. Researchers are exploring its potential as a precursor for developing next-generation crop protection agents that offer better selectivity and lower toxicity profiles.
The synthesis of Ethyl 3-bromo-4-oxopentanoate typically involves the bromination of a corresponding ester or ketone followed by esterification. Advances in synthetic methodologies have enabled more efficient and scalable production processes, making this compound more accessible to industrial and academic researchers alike. Modern techniques such as continuous flow chemistry have further optimized its synthesis, reducing reaction times and improving yields.
The growing interest in sustainable chemistry has also influenced the use of Ethyl 3-bromo-4-oxopentanoate. Researchers are increasingly focusing on developing greener synthetic routes that minimize waste and reduce energy consumption. Catalytic processes and biocatalysis have emerged as promising alternatives to traditional synthetic methods, offering a more environmentally friendly approach to producing this valuable intermediate.
The analytical characterization of Ethyl 3-bromo-4-oxopentanoate is another critical aspect that underscores its importance in chemical research. Techniques such as nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry (MS), and high-performance liquid chromatography (HPLC) are routinely employed to confirm its identity and purity. These analytical tools provide detailed insights into its molecular structure, enabling researchers to optimize synthetic pathways and ensure high-quality final products.
In conclusion, Ethyl 3-bromo-4-oxopentanoate (CAS No. 54260-84-3) is a cornerstone compound in modern chemical synthesis, with far-reaching implications in pharmaceuticals and agrochemicals. Its unique structural features and reactivity make it an indispensable tool for researchers seeking to develop innovative bioactive molecules. As synthetic methodologies continue to evolve, the applications of this compound are expected to expand even further, driving advancements across multiple scientific disciplines.
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