Cas no 33543-78-1 (2-Carboethoxyimidazole)
2-Carboethoxyimidazole Chemical and Physical Properties
Names and Identifiers
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- Ethyl 1H-imidazole-2-carboxylate
- Imidazole-2-carboxylic acid ethyl ester
- Ethyl imidazole-2-carboxylate
- Ethyl 2-Imidazolecarboxylate
- Methyl 1H-imidazole-2-carboxylate
- 1H-Imidazol-2-carbonsaeure-aethylester
- 1H-Imidazole-2-carboxylic acid,ethyl ester
- 2-Imidazolecarboxylic Acid Ethyl Ester
- ethyl imidazol-2-carboxylate
- 2-Carboethoxyimidazole
- CHEMBL4554157
- SCHEMBL152733
- Ethyl1H-imidazole-2-carboxylate
- E0952
- AM20080883
- 2-(Ethoxycarbonyl)-1H-imidazol
- MFCD03426031
- CS-D1176
- ethylimidazole-2-carboxylate
- J-520536
- 2-ethoxycarbonylimidazole
- AKOS005254506
- ethoxyformyl imidazole
- BCP18434
- DTXSID20338498
- 33543-78-1
- Imidazole, 2-ethoxycarbonyl-
- HY-20460
- 1H-imidazole-2-carboxylic acid ethyl ester
- J-019248
- AC-23221
- FT-0626194
- Ethyl 1H-imidazole-2-carboxylate #
- PS-4684
- SY008432
- EN300-98266
- CL2212
- 1H-Imidazole-2-carboxylic acid, ethyl ester
- AB14751
- A5973
- BBL103299
- Imidazole-2-carboxylic Acid Ethyl Ester; 2-Carboethoxyimidazole; Ethyl 1H-imidazole-2-carboxylate
- STL557109
-
- MDL: MFCD03426031
- Inchi: 1S/C6H8N2O2/c1-2-10-6(9)5-7-3-4-8-5/h3-4H,2H2,1H3,(H,7,8)
- InChI Key: UHYNYIGCGVDBTC-UHFFFAOYSA-N
- SMILES: O(C(C1=NC=CN1)=O)CC
- BRN: 115685
Computed Properties
- Exact Mass: 140.05900
- Monoisotopic Mass: 140.059
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 127
- 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
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: 0.6
- Topological Polar Surface Area: 55A^2
Experimental Properties
- Color/Form: White to Yellow Solid
- Density: 1.214
- Melting Point: 179.0 to 183.0 deg-C
- Boiling Point: 51°C/0.3mmHg(lit.)
- Flash Point: 48-51℃/0.3mm
- PSA: 54.98000
- LogP: 0.58640
- Solubility: Not determined
2-Carboethoxyimidazole Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H315,H319,H335
-
Warning Statement:
P261,P305
P351
P338,P302
P352,P321,P405,P501A - Hazard Category Code: 36/37/38
- Safety Instruction: S26-S36
-
Hazardous Material Identification:
- Storage Condition:Inert atmosphere,Room Temperature
- Risk Phrases:R36/37/38
- Safety Term:S26;S36
2-Carboethoxyimidazole Pricemore >>
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|---|---|---|---|---|---|---|---|---|
| Alichem | A069002876-100g |
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33543-78-1 | 98% | 100g |
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2-Carboethoxyimidazole |
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| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | E124091-25g |
2-Carboethoxyimidazole |
33543-78-1 | 98%(GC) | 25g |
¥875.90 | 2023-09-03 | |
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¥212.90 | 2023-09-03 | |
| AstaTech | CL2212-1/G |
ETHYL1H-IMIDAZOLE-2-CARBOXYLATE |
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| AstaTech | CL2212-5/G |
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| AstaTech | CL2212-25/G |
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$135 | 2023-09-15 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R003637-1g |
2-Carboethoxyimidazole |
33543-78-1 | 97% | 1g |
¥26 | 2024-05-24 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R003637-5g |
2-Carboethoxyimidazole |
33543-78-1 | 97% | 5g |
¥122 | 2024-05-24 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | E809374-5g |
Ethyl imidazole-2-carboxylate |
33543-78-1 | 97% | 5g |
1,428.00 | 2021-05-17 |
2-Carboethoxyimidazole Suppliers
2-Carboethoxyimidazole Related Literature
-
Andreas Schmidt,Ariane Beutler,Marcel Albrecht,Bohdan Snovydovych,Francisco Javier Ramírez Org. Biomol. Chem. 2008 6 287
Additional information on 2-Carboethoxyimidazole
Introduction to 2-Carboethoxyimidazole (CAS No. 33543-78-1)
2-Carboethoxyimidazole, with the chemical identifier CAS No. 33543-78-1, is a significant compound in the realm of pharmaceutical and chemical research. This heterocyclic organic compound has garnered attention due to its versatile applications in medicinal chemistry, particularly in the synthesis of bioactive molecules. The imidazole core, a five-membered aromatic ring containing two nitrogen atoms, is a privileged scaffold in drug discovery, exhibiting a wide range of biological activities. The introduction of an ethoxyacetyl group at the 2-position modifies its pharmacological profile, making it a valuable intermediate in the development of novel therapeutic agents.
The structure of 2-Carboethoxyimidazole consists of an imidazole ring substituted with a carboethoxy group (CH?CH?OOC-). This modification enhances the compound's solubility and stability, which are critical factors in pharmaceutical formulations. The carboethoxy group also provides a reactive site for further functionalization, enabling the synthesis of more complex derivatives. These derivatives have been explored for their potential in treating various diseases, including infectious disorders and chronic conditions.
In recent years, 2-Carboethoxyimidazole has been extensively studied for its role as a precursor in the synthesis of antiviral and antibacterial agents. The imidazole moiety is known to interact with biological targets such as enzymes and receptors, which has led to its incorporation into drug candidates targeting viral proteases and bacterial enzymes. For instance, researchers have utilized derivatives of 2-Carboethoxyimidazole to develop inhibitors of viral polymerases, which are essential for viral replication. These inhibitors have shown promise in preclinical studies, highlighting the compound's significance in antiviral drug development.
Moreover, 2-Carboethoxyimidazole has been investigated for its potential applications in the treatment of inflammatory diseases. The imidazole ring is capable of modulating inflammatory pathways by interacting with nuclear factor kappa B (NF-κB) and other transcription factors. By inhibiting these pathways, derivatives of 2-Carboethoxyimidazole have demonstrated anti-inflammatory properties in cellular and animal models. This has opened up new avenues for developing novel anti-inflammatory drugs that could offer alternatives to existing therapies.
The pharmaceutical industry has also explored the use of 2-Carboethoxyimidazole in the development of kinase inhibitors. Kinases are enzymes that play a crucial role in cell signaling pathways and are often dysregulated in cancer cells. By designing molecules that specifically inhibit aberrant kinase activity, researchers aim to develop targeted cancer therapies. Derivatives of 2-Carboethoxyimidazole have been synthesized and evaluated for their ability to inhibit various kinases, including tyrosine kinases and serine/threonine kinases. Some of these derivatives have shown potent activity in vitro and have entered clinical trials as potential cancer treatments.
Recent advancements in computational chemistry have further enhanced the utility of 2-Carboethoxyimidazole as a building block in drug design. High-throughput virtual screening (HTVS) and molecular docking techniques have been employed to identify novel derivatives with improved pharmacological properties. These computational methods allow researchers to predict the binding affinity and specificity of 2-Carboethoxyimidazole derivatives to biological targets, thereby accelerating the drug discovery process.
The synthetic methodologies for preparing 2-Carboethoxyimidazole have also seen significant advancements. Modern synthetic routes employ efficient and environmentally friendly techniques such as transition metal-catalyzed reactions and green chemistry principles. These methods not only improve yield but also minimize waste generation, aligning with the growing emphasis on sustainable chemistry practices.
In conclusion, 2-Carboethoxyimidazole (CAS No. 33543-78-1) is a versatile compound with broad applications in pharmaceutical research. Its unique structural features make it an invaluable intermediate for synthesizing bioactive molecules targeting various diseases. The ongoing research into its derivatives continues to uncover new therapeutic possibilities, reinforcing its importance in modern drug development.
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