Cas no 208450-84-4 (Diethyl 5-formylisophthalate)
Diethyl 5-formylisophthalate Chemical and Physical Properties
Names and Identifiers
-
- diethyl 5-formylisophthalate
- 5-FORMYL-ISOPHTHALIC ACID DIETHYL ESTER
- JAQYGXLOZQBJFU-UHFFFAOYSA-N
- 5-Formylisophthalic acid diethyl ester
- diethyl5-formylisophthalate
- DB-170799
- diethyl 5-formylbenzene-1,3-dicarboxylate
- 1,3-diethyl 5-formylbenzene-1,3-dicarboxylate
- SCHEMBL475420
- CS-0169865
- G65657
- YSZC1039
- 208450-84-4
- Diethyl 5-formylisophthalate
-
- Inchi: 1S/C13H14O5/c1-3-17-12(15)10-5-9(8-14)6-11(7-10)13(16)18-4-2/h5-8H,3-4H2,1-2H3
- InChI Key: JAQYGXLOZQBJFU-UHFFFAOYSA-N
- SMILES: O(CC)C(C1C=C(C=O)C=C(C(=O)OCC)C=1)=O
Computed Properties
- Exact Mass: 250.08412354g/mol
- Monoisotopic Mass: 250.08412354g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 7
- Complexity: 287
- 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
- Topological Polar Surface Area: 69.7
- XLogP3: 1.8
Diethyl 5-formylisophthalate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Ambeed | A1159112-100mg |
Diethyl 5-formylisophthalate |
208450-84-4 | 99% | 100mg |
$54.0 | 2025-02-20 | |
| Ambeed | A1159112-250mg |
Diethyl 5-formylisophthalate |
208450-84-4 | 99% | 250mg |
$90.0 | 2025-02-20 | |
| Ambeed | A1159112-1g |
Diethyl 5-formylisophthalate |
208450-84-4 | 99% | 1g |
$243.0 | 2025-02-20 | |
| 1PlusChem | 1P00BGXK-100mg |
5-FORMYL-ISOPHTHALIC ACID DIETHYL ESTER |
208450-84-4 | 99% | 100mg |
$49.00 | 2023-12-19 | |
| 1PlusChem | 1P00BGXK-250mg |
5-FORMYL-ISOPHTHALIC ACID DIETHYL ESTER |
208450-84-4 | 99% | 250mg |
$82.00 | 2023-12-19 | |
| 1PlusChem | 1P00BGXK-1g |
5-FORMYL-ISOPHTHALIC ACID DIETHYL ESTER |
208450-84-4 | 99% | 1g |
$221.00 | 2023-12-19 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1240505-100mg |
Diethyl 5-formylisophthalate |
208450-84-4 | 98% | 100mg |
¥646.00 | 2023-11-21 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1240505-250mg |
Diethyl 5-formylisophthalate |
208450-84-4 | 98% | 250mg |
¥1155.00 | 2023-11-21 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1240505-1g |
Diethyl 5-formylisophthalate |
208450-84-4 | 98% | 1g |
¥3097.00 | 2023-11-21 |
Diethyl 5-formylisophthalate Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
Additional information on Diethyl 5-formylisophthalate
Diethyl 5-formylisophthalate (CAS No. 208450-84-4): A Key Intermediate in Modern Chemical Synthesis and Pharmaceutical Development
Diethyl 5-formylisophthalate, with the chemical identifier CAS No. 208450-84-4, is a significant compound in the realm of organic synthesis and pharmaceutical research. This ester derivative of isophthalic acid has garnered considerable attention due to its versatile applications in the synthesis of complex molecules, particularly in the development of novel therapeutic agents. The compound's unique structural features, including the presence of a formyl group and two ethyl ester functionalities, make it an invaluable intermediate for various synthetic pathways.
The< strong>formyl group in Diethyl 5-formylisophthalate serves as a reactive site for condensation reactions, enabling the formation of Schiff bases, heterocyclic compounds, and other functionalized molecules. These reactions are pivotal in medicinal chemistry, where such intermediates are often used to construct pharmacophores with desired biological activities. Recent studies have highlighted the compound's role in the synthesis of inhibitors targeting various diseases, including cancer and neurodegenerative disorders.
In pharmaceutical research, Diethyl 5-formylisophthalate has been employed in the development of small-molecule drugs that exhibit potent binding interactions with biological targets. For instance, its derivatives have been explored as inhibitors of enzymes involved in metabolic pathways relevant to diabetes and obesity. The< strong>ester functionalities provide additional handles for chemical modifications, allowing researchers to fine-tune the physicochemical properties of their compounds, such as solubility and bioavailability.
The compound's utility extends beyond pharmaceuticals into materials science and polymer chemistry. Its ability to participate in cross-coupling reactions makes it a valuable precursor for synthesizing polymers with tailored properties. These polymers find applications in coatings, adhesives, and advanced materials requiring high thermal stability and mechanical strength. The< strong>formyl group's reactivity also facilitates the introduction of functional side chains, enhancing the material's performance in specific environments.
Recent advancements in synthetic methodologies have further expanded the applications of Diethyl 5-formylisophthalate. Transition-metal-catalyzed reactions, such as palladium-catalyzed cross-coupling and copper-mediated oxidation, have enabled efficient transformations of this intermediate into more complex structures. These techniques have opened new avenues for drug discovery and material innovation, leveraging the compound's inherent reactivity.
The< strong>CAS No. 208450-84-4 registry ensures that researchers worldwide can reliably source this compound for their studies. Its well-documented properties and synthetic pathways contribute to its widespread use in academic and industrial laboratories. The growing interest in green chemistry has also prompted investigations into sustainable synthetic routes for Diethyl 5-formylisophthalate, aiming to minimize waste and improve atom economy.
In conclusion, Diethyl 5-formylisophthalate represents a cornerstone in modern chemical synthesis and pharmaceutical development. Its unique structural features and reactivity make it an indispensable intermediate for constructing biologically active molecules and advanced materials. As research continues to uncover new applications for this compound, its significance is expected to grow further, driving innovation across multiple scientific disciplines.
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