Cas no 21908-12-3 (Ethyl 4-formylnicotinate)
Ethyl 4-formylnicotinate Chemical and Physical Properties
Names and Identifiers
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- Ethyl 4-formylnicotinate
- ethyl 4-formylpyridine-3-carboxylate
- Ethyl 4-formyl-3-pyridinecarboxylate
- DTXSID101290007
- 4-Formyl-nicotinic acid ethyl ester
- Ethyl4-formylnicotinate
- 21908-12-3
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- Inchi: 1S/C9H9NO3/c1-2-13-9(12)8-5-10-4-3-7(8)6-11/h3-6H,2H2,1H3
- InChI Key: AADKATLKNXAANE-UHFFFAOYSA-N
- SMILES: O(C(C1C=NC=CC=1C=O)=O)CC
Computed Properties
- Exact Mass: 179.058243149g/mol
- Monoisotopic Mass: 179.058243149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 193
- 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: 0.5
- Topological Polar Surface Area: 56.3?2
Ethyl 4-formylnicotinate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM176980-1g |
ethyl 4-formylnicotinate |
21908-12-3 | 95% | 1g |
$574 | 2021-08-05 | |
| Alichem | A029206907-1g |
Ethyl 4-formylnicotinate |
21908-12-3 | 95% | 1g |
$499.95 | 2023-09-02 | |
| Chemenu | CM176980-1g |
ethyl 4-formylnicotinate |
21908-12-3 | 95% | 1g |
$528 | 2022-06-11 |
Ethyl 4-formylnicotinate Related Literature
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2. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
Additional information on Ethyl 4-formylnicotinate
Ethyl 4-formylnicotinate (CAS No. 21908-12-3): A Versatile Building Block in Organic Synthesis
Ethyl 4-formylnicotinate (CAS No. 21908-12-3) is an important nicotinic acid derivative that has gained significant attention in pharmaceutical and material science research. This ester-aldehyde compound serves as a crucial intermediate in the synthesis of various bioactive molecules and functional materials. With its unique pyridine carbonyl structure, it offers remarkable reactivity that makes it valuable for heterocyclic chemistry applications.
The molecular structure of ethyl 4-formylnicotinate combines both ester and aldehyde functional groups on a pyridine ring, creating multiple reactive sites for chemical transformations. This characteristic has made it particularly useful in medicinal chemistry for developing novel drug candidates. Recent studies highlight its role in creating kinase inhibitors, which are currently a hot topic in cancer research and targeted therapy development.
In material science, CAS 21908-12-3 serves as a precursor for functional polymers and coordination complexes. Its ability to form Schiff bases with amines makes it valuable for creating metal-organic frameworks (MOFs), a rapidly growing field in nanotechnology and gas storage applications. Researchers are particularly interested in how modifications of the 4-formylnicotinate moiety can influence material properties.
The synthesis of ethyl 4-formylnicotinate typically involves Vilsmeier-Haack formylation of ethyl nicotinate, followed by careful purification processes. Current research focuses on developing more sustainable production methods, aligning with the growing demand for green chemistry approaches in industrial applications. This compound's stability and solubility properties make it suitable for various organic synthesis conditions.
Market analysis shows increasing demand for high purity ethyl 4-formylnicotinate, particularly from the pharmaceutical sector. The compound's role in developing CNS-active compounds and anti-inflammatory agents has driven this trend. Quality specifications typically require ≥98% purity, with special attention to residual solvents and byproducts that might affect downstream applications.
Recent innovations have explored the use of ethyl 4-formylnicotinate in click chemistry applications and bioconjugation techniques. Its aldehyde group enables efficient coupling with various biomolecules, making it valuable for proteomics research and diagnostic reagent development. These applications align with current trends in personalized medicine and diagnostic technologies.
Storage and handling of CAS 21908-12-3 require standard laboratory precautions for organic compounds. While not classified as highly hazardous, proper ventilation and protective equipment are recommended when working with this material. Suppliers typically provide technical data sheets with detailed safety information and handling guidelines.
The future outlook for ethyl 4-formylnicotinate appears promising, with potential applications emerging in organic electronics and catalysis. Researchers are investigating its use in developing novel photocatalysts and electroluminescent materials, responding to the growing interest in sustainable energy solutions. These developments position this compound as a valuable tool in addressing current scientific and technological challenges.
For synthetic chemists, understanding the reactivity patterns of ethyl 4-formylnicotinate is crucial for designing efficient synthetic routes. The compound's orthogonal reactivity allows for selective modifications of either the ester or aldehyde group, enabling diverse molecular architectures. This flexibility makes it particularly valuable in combinatorial chemistry and library synthesis approaches.
Analytical characterization of 21908-12-3 typically involves HPLC analysis, NMR spectroscopy, and mass spectrometry. Recent advances in analytical techniques have improved the detection and quantification of this compound in complex mixtures, supporting quality control in both research and industrial settings. These developments contribute to more reliable and reproducible results in applications using this versatile building block.
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