Cas no 2421133-53-9 (ethyl 2-nitro-1H-imidazole-5-carboxylate)
Ethyl 2-nitro-1H-imidazole-5-carboxylate is a nitroimidazole derivative with significant applications in pharmaceutical and chemical synthesis. Its structure features a nitro group at the 2-position and an ester moiety at the 5-position of the imidazole ring, making it a versatile intermediate for the development of bioactive compounds. The nitro group enhances reactivity, facilitating further functionalization, while the ester group provides flexibility for derivatization. This compound is particularly valuable in the synthesis of antiparasitic and antimicrobial agents, owing to the nitroimidazole scaffold's electron-affinic properties. Its stability under controlled conditions and compatibility with various reaction conditions further underscore its utility in medicinal chemistry and industrial applications.
2421133-53-9 structure
Product Name:ethyl 2-nitro-1H-imidazole-5-carboxylate
CAS No:2421133-53-9
MF:C6H7N3O4
MW:185.137480974197
MDL:MFCD34186686
CID:5640403
PubChem ID:53963726
Update Time:2025-05-26
ethyl 2-nitro-1H-imidazole-5-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- SCHEMBL7554972
- 2421133-53-9
- EN300-28257663
- ethyl 2-nitro-1H-imidazole-5-carboxylate
- 1H-Imidazole-5-carboxylic acid, 2-nitro-, ethyl ester
-
- MDL： MFCD34186686
- Inchi： 1S/C6H7N3O4/c1-2-13-5(10)4-3-7-6(8-4)9(11)12/h3H,2H2,1H3,(H,7,8)
- InChI Key： JMSJAPVDMIPABT-UHFFFAOYSA-N
- SMILES： O(CC)C(C1=CN=C([N+](=O)[O-])N1)=O
Computed Properties
- Exact Mass: 185.04365571g/mol
- Monoisotopic Mass: 185.04365571g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 214
- 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: 0.8
- Topological Polar Surface Area: 101?2
Experimental Properties
- Density: 1.455±0.06 g/cm3(Predicted)
- Boiling Point: 408.1±37.0 °C(Predicted)
- pka: 6.38±0.10(Predicted)
ethyl 2-nitro-1H-imidazole-5-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-28257663-1g |
ethyl 2-nitro-1H-imidazole-5-carboxylate |
2421133-53-9 | 95% | 1g |
$4639.0 | 2023-09-09 | |
| Enamine | EN300-28257663-5g |
ethyl 2-nitro-1H-imidazole-5-carboxylate |
2421133-53-9 | 95% | 5g |
$13454.0 | 2023-09-09 | |
| Enamine | EN300-28257663-10g |
ethyl 2-nitro-1H-imidazole-5-carboxylate |
2421133-53-9 | 95% | 10g |
$19950.0 | 2023-09-09 | |
| Enamine | EN300-28257663-0.05g |
ethyl 2-nitro-1H-imidazole-5-carboxylate |
2421133-53-9 | 95.0% | 0.05g |
$1306.0 | 2025-03-19 | |
| Enamine | EN300-28257663-0.1g |
ethyl 2-nitro-1H-imidazole-5-carboxylate |
2421133-53-9 | 95.0% | 0.1g |
$1609.0 | 2025-03-19 | |
| Enamine | EN300-28257663-0.25g |
ethyl 2-nitro-1H-imidazole-5-carboxylate |
2421133-53-9 | 95.0% | 0.25g |
$2296.0 | 2025-03-19 | |
| Enamine | EN300-28257663-0.5g |
ethyl 2-nitro-1H-imidazole-5-carboxylate |
2421133-53-9 | 95.0% | 0.5g |
$3618.0 | 2025-03-19 | |
| Enamine | EN300-28257663-1.0g |
ethyl 2-nitro-1H-imidazole-5-carboxylate |
2421133-53-9 | 95.0% | 1.0g |
$4639.0 | 2025-03-19 | |
| Enamine | EN300-28257663-2.5g |
ethyl 2-nitro-1H-imidazole-5-carboxylate |
2421133-53-9 | 95.0% | 2.5g |
$9093.0 | 2025-03-19 | |
| Enamine | EN300-28257663-5.0g |
ethyl 2-nitro-1H-imidazole-5-carboxylate |
2421133-53-9 | 95.0% | 5.0g |
$13454.0 | 2025-03-19 |
ethyl 2-nitro-1H-imidazole-5-carboxylate Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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