Cas no 865798-15-8 (ethyl 5-bromo-1-methyl-1H-imidazole-2-carboxylate)
ethyl 5-bromo-1-methyl-1H-imidazole-2-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 5-bromo-1-methyl-1H-imidazole-2-carboxylate
- ethyl 5-bromo-1-methylimidazole-2-carboxylate
- ETHYL5-BROMO-1-METHYL-1H-IMIDAZOLE-2-CARBOXYLATE
- DB-171414
- 5-bromo-1-methyl-1H-imidazole-2-carboxylic acid ethyl ester
- 1H-Imidazole-2-carboxylic acid, 5-bromo-1-methyl-, ethyl ester
- AB71912
- CS-0061600
- SY242836
- NRQBXTSPABSYFV-UHFFFAOYSA-N
- MFCD18249878
- 865798-15-8
- AKOS027325933
- BS-17742
- SCHEMBL4032310
-
- MDL: MFCD18249878
- Inchi: 1S/C7H9BrN2O2/c1-3-12-7(11)6-9-4-5(8)10(6)2/h4H,3H2,1-2H3
- InChI Key: NRQBXTSPABSYFV-UHFFFAOYSA-N
- SMILES: O=C(C1N(C)C(Br)=CN=1)OCC
Computed Properties
- Exact Mass: 231.98474g/mol
- Monoisotopic Mass: 231.98474g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 177
- 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: 1.6
- Topological Polar Surface Area: 44.1?2
ethyl 5-bromo-1-methyl-1H-imidazole-2-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A069003724-250mg |
Ethyl 5-bromo-1-methyl-1h-imidazole-2-carboxylate |
865798-15-8 | 95% | 250mg |
$328.57 | 2023-08-31 | |
| Alichem | A069003724-1g |
Ethyl 5-bromo-1-methyl-1h-imidazole-2-carboxylate |
865798-15-8 | 95% | 1g |
$876.70 | 2023-08-31 | |
| Alichem | A069003724-5g |
Ethyl 5-bromo-1-methyl-1h-imidazole-2-carboxylate |
865798-15-8 | 95% | 5g |
$2461.70 | 2023-08-31 | |
| Chemenu | CM111848-250mg |
ethyl 5-bromo-1-methyl-1H-imidazole-2-carboxylate |
865798-15-8 | 95% | 250mg |
$*** | 2023-05-29 | |
| Chemenu | CM111848-1g |
ethyl 5-bromo-1-methyl-1H-imidazole-2-carboxylate |
865798-15-8 | 95% | 1g |
$*** | 2023-05-29 | |
| abcr | AB445454-250 mg |
Ethyl 5-bromo-1-methyl-1H-imidazole-2-carboxylate, 95%; . |
865798-15-8 | 95% | 250mg |
€268.10 | 2023-04-22 | |
| abcr | AB445454-1 g |
Ethyl 5-bromo-1-methyl-1H-imidazole-2-carboxylate, 95%; . |
865798-15-8 | 95% | 1g |
€593.00 | 2023-04-22 | |
| A2B Chem LLC | AV18366-5g |
Ethyl 5-bromo-1-methyl-1h-imidazole-2-carboxylate |
865798-15-8 | 95% | 5g |
$1381.00 | 2024-04-19 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1132240-100mg |
Ethyl 5-bromo-1-methyl-1H-imidazole-2-carboxylate |
865798-15-8 | 95% | 100mg |
¥825.00 | 2024-04-28 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1132240-250mg |
Ethyl 5-bromo-1-methyl-1H-imidazole-2-carboxylate |
865798-15-8 | 95% | 250mg |
¥1430.00 | 2024-04-28 |
ethyl 5-bromo-1-methyl-1H-imidazole-2-carboxylate Related Literature
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Connor J. Taylor,Hikaru Seki,Friederike M. Dannheim,Mark J. Willis,Graeme Clemens,Brian A. Taylor,Thomas W. Chamberlain,Richard A. Bourne React. Chem. Eng., 2021,6, 1404-1411
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
Additional information on ethyl 5-bromo-1-methyl-1H-imidazole-2-carboxylate
Ethyl 5-Bromo-1-Methyl-1H-Imidazole-2-Carboxylate: Properties, Applications, and Market Insights
Ethyl 5-bromo-1-methyl-1H-imidazole-2-carboxylate (CAS No. 865798-15-8) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This brominated imidazole derivative serves as a versatile intermediate in the synthesis of various bioactive molecules. With the increasing demand for heterocyclic compounds in drug discovery, this chemical has become particularly relevant in modern medicinal chemistry.
The molecular structure of ethyl 5-bromo-1-methyl-1H-imidazole-2-carboxylate features an imidazole core substituted with a bromine atom at the 5-position and an ester functional group at the 2-position. This unique arrangement contributes to its reactivity and makes it valuable for constructing more complex molecular architectures. Researchers frequently employ this compound in cross-coupling reactions, which are fundamental to creating diverse pharmaceutical candidates.
In pharmaceutical applications, 5-bromo-1-methyl-imidazole derivatives have shown promise in the development of kinase inhibitors and antimicrobial agents. The presence of both bromine and ester moieties allows for further functionalization, making this compound particularly useful in combinatorial chemistry approaches. Recent studies have explored its potential in creating novel compounds with anti-inflammatory and anticancer properties, aligning with current trends in targeted drug development.
The agrochemical industry has also shown interest in ethyl imidazole-2-carboxylate derivatives for developing new crop protection agents. As the agricultural sector faces increasing challenges from pesticide resistance and environmental regulations, researchers are investigating brominated imidazole compounds as potential alternatives to conventional pesticides. This application aligns with the growing demand for sustainable agriculture solutions and green chemistry approaches.
From a synthetic chemistry perspective, CAS 865798-15-8 offers several advantages. The bromine atom serves as an excellent leaving group for various nucleophilic substitution reactions, while the ester functionality can be readily hydrolyzed or transformed into other useful groups. These characteristics make it a valuable building block in multi-step organic synthesis, particularly in the preparation of nitrogen-containing heterocycles that are prevalent in many bioactive molecules.
The market for imidazole-based intermediates like ethyl 5-bromo-1-methyl-1H-imidazole-2-carboxylate has been steadily growing, driven by the expanding pharmaceutical and agrochemical sectors. With increasing investment in small molecule drug discovery and the continuous need for novel crop protection agents, demand for such specialized intermediates is expected to rise. Manufacturers are focusing on improving synthesis methods to enhance yield and purity while reducing environmental impact.
Quality control is crucial when working with brominated imidazole derivatives. Analytical techniques such as HPLC, NMR spectroscopy, and mass spectrometry are typically employed to verify the purity and identity of the compound. Proper storage conditions, typically in cool, dry environments protected from light, help maintain the stability of this sensitive intermediate. These considerations are particularly important for researchers seeking high-purity chemical intermediates for their synthetic work.
Recent advancements in flow chemistry and continuous processing have opened new possibilities for the efficient production of compounds like ethyl 5-bromo-1-methyl-1H-imidazole-2-carboxylate. These technologies offer advantages in terms of scalability, safety, and environmental impact, addressing some of the key challenges in modern chemical manufacturing. As the industry moves toward more sustainable practices, such innovations are becoming increasingly important.
For researchers considering imidazole derivative synthesis, ethyl 5-bromo-1-methyl-1H-imidazole-2-carboxylate represents an interesting starting material. Its versatility allows for the creation of diverse molecular scaffolds through various chemical transformations. The compound's reactivity profile makes it particularly useful in medicinal chemistry optimization programs, where rapid exploration of structure-activity relationships is essential.
Looking ahead, the applications of ethyl 5-bromo-1-methyl-1H-imidazole-2-carboxylate are likely to expand as researchers discover new synthetic pathways and biological activities associated with its derivatives. The compound's role in developing treatments for emerging diseases and addressing agricultural challenges positions it as a valuable tool in both pharmaceutical and agrochemical research. As the scientific community continues to explore the potential of heterocyclic chemistry, this brominated imidazole derivative will undoubtedly remain an important focus of investigation.
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