Cas no 33142-24-4 (Butanoic acid,2-formyl-3-oxo-, ethyl ester)
Butanoic acid,2-formyl-3-oxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
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- Butanoic acid,2-formyl-3-oxo-, ethyl ester
- 2-FORMYL-3-OXO-BUTYRIC ACID ETHYL ESTER
- Ethyl 2-formyl-3-oxobutanoate
- Malonaldehydicacid, acetyl-, ethyl ester
- ETHYL2-FORMYL-3-OXOBUTANOATE
- FOYKDKLMRIXURJ-UHFFFAOYSA-N
- 33142-24-4
- SCHEMBL6070239
- ethyl alpha-formylacetoacetate
- AKOS006326638
- DTXSID50564364
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- Inchi: 1S/C7H10O4/c1-3-11-7(10)6(4-8)5(2)9/h4,6H,3H2,1-2H3
- InChI Key: FOYKDKLMRIXURJ-UHFFFAOYSA-N
- SMILES: O(CC)C(C(C=O)C(C)=O)=O
Computed Properties
- Exact Mass: 158.0579
- Monoisotopic Mass: 158.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 173
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.1
- Topological Polar Surface Area: 60.4?2
Experimental Properties
- PSA: 60.44
Butanoic acid,2-formyl-3-oxo-, ethyl ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Ambeed | A972470-1g |
Ethyl 2-formyl-3-oxobutanoate |
33142-24-4 | 97% | 1g |
$780.0 | 2024-04-20 |
Butanoic acid,2-formyl-3-oxo-, ethyl ester Suppliers
Butanoic acid,2-formyl-3-oxo-, ethyl ester Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
Additional information on Butanoic acid,2-formyl-3-oxo-, ethyl ester
Butanoic acid,2-formyl-3-oxo-, ethyl ester (CAS No. 33142-24-4): A Comprehensive Overview
Butanoic acid,2-formyl-3-oxo-, ethyl ester, with the chemical formula C?H?O?, is a significant compound in the field of organic chemistry and pharmaceutical research. Its unique structural properties make it a valuable intermediate in the synthesis of various bioactive molecules. This compound, identified by its CAS number 33142-24-4, has garnered attention due to its role in the development of novel therapeutic agents and its potential applications in industrial processes.
The structure of Butanoic acid,2-formyl-3-oxo-, ethyl ester features a carboxylic acid ester group attached to a β-ketoaldehyde moiety. This bifunctional nature allows for diverse chemical transformations, making it a versatile building block in synthetic chemistry. The presence of both a formyl group and an ester group provides multiple sites for functionalization, enabling the creation of complex molecular architectures.
In recent years, there has been growing interest in the pharmaceutical applications of this compound. Researchers have been exploring its potential as a precursor in the synthesis of nonsteroidal anti-inflammatory drugs (NSAIDs) and other therapeutic agents. The β-ketoaldehyde functionality is particularly valuable in these contexts, as it can undergo condensation reactions to form heterocyclic compounds known for their pharmacological properties.
One of the most exciting areas of research involving Butanoic acid,2-formyl-3-oxo-, ethyl ester is its role in the development of bioactive molecules targeting neurological disorders. Studies have shown that derivatives of this compound exhibit inhibitory effects on enzymes such as acetylcholinesterase, which are implicated in conditions like Alzheimer's disease. The ability to modify its structure allows chemists to fine-tune its pharmacokinetic and pharmacodynamic profiles, enhancing its therapeutic potential.
The synthetic pathways for producing Butanoic acid,2-formyl-3-oxo-, ethyl ester have also seen significant advancements. Modern synthetic methods leverage catalytic processes and green chemistry principles to improve yield and reduce environmental impact. For instance, enzymatic catalysis has been employed to achieve selective functionalization at specific sites within the molecule, ensuring higher purity and efficiency in the synthesis process.
Industrial applications of this compound are also expanding. In agrochemicals, derivatives of Butanoic acid,2-formyl-3-oxo-, ethyl ester have been investigated for their potential as growth regulators and pest control agents. Their structural flexibility allows for the design of molecules that can interact with biological targets in plants, offering new solutions for sustainable agriculture.
The chemical reactivity of Butanoic acid,2-formyl-3-oxo-, ethyl ester makes it a fascinating subject for mechanistic studies. Researchers are delving into understanding how this compound participates in various organic reactions, such as condensation, oxidation, and reduction processes. These insights not only contribute to the fundamental understanding of organic chemistry but also inform the development of more efficient synthetic strategies.
Advances in computational chemistry have further enhanced the study of Butanoic acid,2-formyl-3-oxo-, ethyl ester. Molecular modeling techniques allow researchers to predict the behavior of this compound in different chemical environments with high accuracy. This computational approach complements experimental studies by providing theoretical frameworks that guide synthetic design and reaction optimization.
The role of this compound in drug discovery is underscored by its presence in several clinical trials targeting various diseases. Its derivatives have been tested for their efficacy in treating conditions ranging from inflammatory disorders to infectious diseases. The ongoing research efforts highlight its significance as a molecular scaffold for developing new-generation therapeutics.
In conclusion, Butanoic acid,2-formyl-3-oxo-, ethyl ester (CAS No. 33142-24-4) is a multifaceted compound with broad applications in pharmaceuticals, agrochemicals, and industrial chemistry. Its unique structural features and chemical reactivity make it a valuable asset in synthetic chemistry and drug development. As research continues to uncover new possibilities for this compound, its importance is likely to grow even further.
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