Cas no 62592-80-7 ((2E)-5-Hydroxy-2-pentenoic Acid Methyl Ester)
(2E)-5-Hydroxy-2-pentenoic Acid Methyl Ester Chemical and Physical Properties
Names and Identifiers
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- (2E)-5-Hydroxy-2-pentenoic Acid Methyl Ester
- methyl 5-hydroxypent-2-enoate
- SCHEMBL13408037
- NSC266089
- A934920
- methyl (E)-5-hydroxypent-2-enoate
- 62592-80-7
- DB-299563
- (E)-5-Hydroxy-2-pentenoic acid methyl ester
- NSC-266089
-
- Inchi: 1S/C6H10O3/c1-9-6(8)4-2-3-5-7/h2,4,7H,3,5H2,1H3
- InChI Key: AULQDMBDCMKXLS-UHFFFAOYSA-N
- SMILES: OCCC=CC(=O)OC
Computed Properties
- Exact Mass: 130.063
- Monoisotopic Mass: 130.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 107
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Topological Polar Surface Area: 46.5A^2
- XLogP3: 0.2
Experimental Properties
- Density: 1.065
- Boiling Point: 212.5°C at 760 mmHg
- Flash Point: 87.5°C
- Refractive Index: 1.456
- PSA: 46.53
- LogP: 0.09800
(2E)-5-Hydroxy-2-pentenoic Acid Methyl Ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | H949245-25mg |
(2E)-5-Hydroxy-2-pentenoic Acid Methyl Ester |
62592-80-7 | 25mg |
$ 201.00 | 2023-09-07 | ||
| TRC | H949245-250mg |
(2E)-5-Hydroxy-2-pentenoic Acid Methyl Ester |
62592-80-7 | 250mg |
$ 1608.00 | 2023-09-07 |
(2E)-5-Hydroxy-2-pentenoic Acid Methyl Ester Related Literature
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1. 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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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
Additional information on (2E)-5-Hydroxy-2-pentenoic Acid Methyl Ester
(2E)-5-Hydroxy-2-pentenoic Acid Methyl Ester and Its Significance in Modern Chemical Biology
The compound with the CAS number 62592-80-7, known as (2E)-5-Hydroxy-2-pentenoic Acid Methyl Ester, represents a fascinating molecule with a rich structural and functional profile. This compound, characterized by its unique double bond and hydroxyl group arrangement, has garnered attention in the field of chemical biology due to its potential applications in drug development and metabolic studies. The structural motif of this ester derivative is particularly intriguing, as it combines the reactivity of a hydroxyl group with the stability provided by esterification, making it a versatile intermediate in synthetic chemistry.
In recent years, there has been a growing interest in exploring the biological activities of unsaturated hydroxy acid derivatives. The presence of both a double bond and a hydroxyl group in (2E)-5-Hydroxy-2-pentenoic Acid Methyl Ester allows for diverse interactions with biological targets, including enzymes and receptors. This dual functionality has been exploited in the design of novel compounds with therapeutic potential. For instance, studies have shown that such molecules can serve as substrates or inhibitors for various metabolic pathways, highlighting their importance in understanding disease mechanisms and developing targeted treatments.
One of the most compelling aspects of (2E)-5-Hydroxy-2-pentenoic Acid Methyl Ester is its role in synthetic biology. The compound's structural features make it an excellent building block for constructing more complex molecules. Researchers have leveraged its reactivity to develop novel synthetic pathways that are more efficient and environmentally friendly. These advancements are particularly relevant in the context of green chemistry, where minimizing waste and reducing hazardous byproducts are paramount. The use of (2E)-5-Hydroxy-2-pentenoic Acid Methyl Ester as a precursor has enabled the synthesis of bioactive molecules that would be otherwise difficult to obtain through traditional methods.
The compound's significance extends beyond its synthetic utility; it also plays a crucial role in understanding biological processes at a molecular level. The hydroxyl group in (2E)-5-Hydroxy-2-pentenoic Acid Methyl Ester can participate in hydrogen bonding interactions, which are essential for the function of many biomolecules. This property has been exploited in structural biology studies to probe protein-ligand interactions. By using this compound as a probe molecule, researchers can gain insights into how small molecules interact with their targets, which is critical for designing drugs that are both effective and selective.
In addition to its structural versatility, (2E)-5-Hydroxy-2-pentenoic Acid Methyl Ester has shown promise in the field of materials science. Its ability to form stable complexes with other molecules makes it a valuable component in the development of novel materials with tailored properties. For example, researchers have explored its use in creating polymers that exhibit specific mechanical or optical characteristics. These materials could find applications in various industries, from electronics to biomedicine, where precise control over material properties is essential.
The compound's potential applications also extend to environmental science. The biodegradability of (2E)-5-Hydroxy-2-pentenoic Acid Methyl Ester makes it an attractive candidate for use in environmentally friendly formulations. Unlike many synthetic chemicals that persist in the environment, this ester derivative can be broken down by natural processes without causing harm. This characteristic is particularly important in developing sustainable solutions for industrial processes and consumer products.
Recent research has also highlighted the importance of (2E)-5-Hydroxy-2-pentenoic Acid Methyl Ester in understanding metabolic pathways related to inflammation and oxidative stress. Studies have shown that derivatives of this compound can modulate key signaling pathways involved in these processes. By interfering with inflammatory responses or oxidative damage, these compounds may offer therapeutic benefits for conditions such as arthritis or neurodegenerative diseases. The ability to fine-tune these effects by modifying the structure of the molecule makes it a promising area for further investigation.
The synthesis and characterization of (2E)-5-Hydroxy-2-pentenoic Acid Methyl Ester have been facilitated by advancements in analytical techniques such as nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS). These tools have enabled researchers to determine the precise structure and purity of the compound, which is crucial for ensuring its effectiveness in biological assays. Furthermore, computational methods have been employed to predict the biological activity of derivatives based on their structural features. This combination of experimental and computational approaches has accelerated the discovery process and led to new insights into the compound's potential applications.
In conclusion, (2E)-5-Hydroxy-2-pentenoic Acid Methyl Ester, with its CAS number 62592-80-7, is a multifaceted compound with significant implications across multiple fields. Its unique structural features make it a valuable tool in synthetic chemistry, drug development, materials science, and environmental science. As research continues to uncover new applications for this molecule, it is likely to play an increasingly important role in addressing some of the most pressing challenges facing society today.
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