Cas no 14906-63-9 (3-(ethoxycarbonyl)pyridin-1-ium-1-olate)
3-(ethoxycarbonyl)pyridin-1-ium-1-olate Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarboxylicacid, ethyl ester, 1-oxide
- ethyl 1-oxidopyridin-1-ium-3-carboxylate
- 1-oxy-nicotinic acid ethyl ester
- 1-Oxy-nicotinsaeure-aethylester
- 3-ethoxycarbonylpyridine 1-oxide
- 3-ethoxycarbonylpyridine N-oxide
- ethyl nicotinate 1-oxide
- Ethyl nicotinate N-Oxide
- ethyl pyridine-3-carboxylate 1-oxide
- HMS3079L19
- nicotinic acid N-oxide ethyl ester
- HPFQJBOXPBNOJK-UHFFFAOYSA-N
- EN300-189099
- NSC207859
- NSC-75655
- SCHEMBL4862698
- SMR001559895
- CHEMBL1876932
- 3-Pyridinecarboxylic acid, ethyl ester, 1-oxide
- NSC75655
- 3-(Ethoxycarbonyl)pyridine 1-oxide
- NSC-207859
- DTXSID20291453
- 14906-63-9
- MLS002693958
- CS-0238020
- 3-(ethoxycarbonyl)pyridin-1-ium-1-olate
- NCIOpen2_000699
-
- Inchi: 1S/C8H9NO3/c1-2-12-8(10)7-4-3-5-9(11)6-7/h3-6H,2H2,1H3
- InChI Key: HPFQJBOXPBNOJK-UHFFFAOYSA-N
- SMILES: O(C(C1=CC=C[N+](=C1)[O-])=O)CC
Computed Properties
- Exact Mass: 167.05800
- Monoisotopic Mass: 167.058243149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 160
- 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: 0.1
- Topological Polar Surface Area: 51.8?2
Experimental Properties
- PSA: 51.76000
- LogP: 1.29180
3-(ethoxycarbonyl)pyridin-1-ium-1-olate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B433553-25mg |
3-(ethoxycarbonyl)pyridin-1-ium-1-olate |
14906-63-9 | 25mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B433553-50mg |
3-(ethoxycarbonyl)pyridin-1-ium-1-olate |
14906-63-9 | 50mg |
$ 70.00 | 2022-06-07 | ||
| TRC | B433553-250mg |
3-(ethoxycarbonyl)pyridin-1-ium-1-olate |
14906-63-9 | 250mg |
$ 230.00 | 2022-06-07 | ||
| Enamine | EN300-189099-0.05g |
3-(ethoxycarbonyl)pyridin-1-ium-1-olate |
14906-63-9 | 95% | 0.05g |
$42.0 | 2023-09-18 | |
| Enamine | EN300-189099-0.1g |
3-(ethoxycarbonyl)pyridin-1-ium-1-olate |
14906-63-9 | 95% | 0.1g |
$66.0 | 2023-09-18 | |
| Enamine | EN300-189099-0.25g |
3-(ethoxycarbonyl)pyridin-1-ium-1-olate |
14906-63-9 | 95% | 0.25g |
$92.0 | 2023-09-18 | |
| Enamine | EN300-189099-0.5g |
3-(ethoxycarbonyl)pyridin-1-ium-1-olate |
14906-63-9 | 95% | 0.5g |
$175.0 | 2023-09-18 | |
| Enamine | EN300-189099-1.0g |
3-(ethoxycarbonyl)pyridin-1-ium-1-olate |
14906-63-9 | 95% | 1g |
$256.0 | 2023-06-01 | |
| Enamine | EN300-189099-2.5g |
3-(ethoxycarbonyl)pyridin-1-ium-1-olate |
14906-63-9 | 95% | 2.5g |
$503.0 | 2023-09-18 | |
| Enamine | EN300-189099-5.0g |
3-(ethoxycarbonyl)pyridin-1-ium-1-olate |
14906-63-9 | 95% | 5g |
$743.0 | 2023-06-01 |
3-(ethoxycarbonyl)pyridin-1-ium-1-olate Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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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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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
Additional information on 3-(ethoxycarbonyl)pyridin-1-ium-1-olate
Comprehensive Overview of 3-(ethoxycarbonyl)pyridin-1-ium-1-olate (CAS No. 14906-63-9): Properties, Applications, and Industry Insights
3-(ethoxycarbonyl)pyridin-1-ium-1-olate (CAS No. 14906-63-9) is a specialized organic compound with a unique molecular structure that combines a pyridine core with an ethoxycarbonyl functional group. This compound, often referred to in scientific literature as an N-oxide derivative, has garnered significant attention in recent years due to its versatile applications in pharmaceuticals, agrochemicals, and material science. Researchers and industry professionals frequently search for terms like "synthesis of pyridine N-oxides", "applications of ethoxycarbonyl compounds", and "CAS 14906-63-9 uses", reflecting its growing relevance in synthetic chemistry.
The chemical structure of 3-(ethoxycarbonyl)pyridin-1-ium-1-olate features a positively charged nitrogen atom in the pyridine ring, balanced by a negatively charged oxygen (N-oxide moiety). This polarity enhances its reactivity, making it a valuable intermediate in cross-coupling reactions and catalysis. Recent studies highlight its role in green chemistry initiatives, where it serves as a biodegradable catalyst or ligand in sustainable synthesis. Searches for "eco-friendly N-oxide catalysts" and "pyridine derivatives in green synthesis" align with these trends.
In the pharmaceutical sector, 3-(ethoxycarbonyl)pyridin-1-ium-1-olate is explored as a precursor for drug discovery, particularly in heterocyclic compound development. Its bioisosteric properties (a common search term among medicinal chemists) allow it to mimic other functional groups, improving drug bioavailability. Additionally, its potential in antimicrobial and anti-inflammatory agents has spurred research, as evidenced by queries like "N-oxide compounds in medicine".
Material scientists leverage this compound for designing advanced polymers and coordination complexes. Its ability to form stable complexes with metals (e.g., transition metal catalysts) is critical for OLED materials and conductive coatings. Industry searches for "pyridine N-oxide in materials science" and "CAS 14906-63-9 suppliers" underscore its commercial demand.
Analytical characterization of 14906-63-9 typically involves NMR spectroscopy, mass spectrometry, and X-ray crystallography (frequently searched techniques). Stability studies indicate it is best stored under anhydrous conditions, a detail often queried as "handling pyridine N-oxides". Regulatory databases confirm its compliance with major REACH and FDA guidelines for research use.
Emerging trends link 3-(ethoxycarbonyl)pyridin-1-ium-1-olate to artificial intelligence-driven drug design, where its structural fingerprints train AI models for virtual screening. This aligns with popular searches like "AI in heterocyclic chemistry". Furthermore, its low toxicity profile (per OECD 420 tests) makes it a candidate for cosmetic additives, a niche explored via queries such as "N-oxides in skincare".
In summary, 3-(ethoxycarbonyl)pyridin-1-ium-1-olate (CAS No. 14906-63-9) bridges multiple disciplines, from catalysis to biomedicine. Its adaptability to sustainable chemistry and alignment with digital transformation in R&D ensure its enduring scientific and industrial value.
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