Cas no 2169322-30-7 (2-bromoethyl 1,2-oxazole-3-carboxylate)
2-bromoethyl 1,2-oxazole-3-carboxylate Chemical and Physical Properties
Names and Identifiers
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- 2-bromoethyl 1,2-oxazole-3-carboxylate
- 2169322-30-7
- EN300-1478675
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- Inchi: 1S/C6H6BrNO3/c7-2-4-10-6(9)5-1-3-11-8-5/h1,3H,2,4H2
- InChI Key: UVFAOHAOHNEYJJ-UHFFFAOYSA-N
- SMILES: BrCCOC(C1C=CON=1)=O
Computed Properties
- Exact Mass: 218.95311g/mol
- Monoisotopic Mass: 218.95311g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 142
- 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: 1.3
- Topological Polar Surface Area: 52.3?2
2-bromoethyl 1,2-oxazole-3-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1478675-1.0g |
2-bromoethyl 1,2-oxazole-3-carboxylate |
2169322-30-7 | 1g |
$0.0 | 2023-06-06 | ||
| Enamine | EN300-1478675-50mg |
2-bromoethyl 1,2-oxazole-3-carboxylate |
2169322-30-7 | 50mg |
$612.0 | 2023-09-28 | ||
| Enamine | EN300-1478675-100mg |
2-bromoethyl 1,2-oxazole-3-carboxylate |
2169322-30-7 | 100mg |
$640.0 | 2023-09-28 | ||
| Enamine | EN300-1478675-250mg |
2-bromoethyl 1,2-oxazole-3-carboxylate |
2169322-30-7 | 250mg |
$670.0 | 2023-09-28 | ||
| Enamine | EN300-1478675-500mg |
2-bromoethyl 1,2-oxazole-3-carboxylate |
2169322-30-7 | 500mg |
$699.0 | 2023-09-28 | ||
| Enamine | EN300-1478675-1000mg |
2-bromoethyl 1,2-oxazole-3-carboxylate |
2169322-30-7 | 1000mg |
$728.0 | 2023-09-28 | ||
| Enamine | EN300-1478675-2500mg |
2-bromoethyl 1,2-oxazole-3-carboxylate |
2169322-30-7 | 2500mg |
$1428.0 | 2023-09-28 | ||
| Enamine | EN300-1478675-5000mg |
2-bromoethyl 1,2-oxazole-3-carboxylate |
2169322-30-7 | 5000mg |
$2110.0 | 2023-09-28 | ||
| Enamine | EN300-1478675-10000mg |
2-bromoethyl 1,2-oxazole-3-carboxylate |
2169322-30-7 | 10000mg |
$3131.0 | 2023-09-28 |
2-bromoethyl 1,2-oxazole-3-carboxylate Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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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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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
Additional information on 2-bromoethyl 1,2-oxazole-3-carboxylate
Comprehensive Overview of 2-Bromoethyl 1,2-Oxazole-3-Carboxylate (CAS No. 2169322-30-7): Properties, Applications, and Industry Insights
2-Bromoethyl 1,2-oxazole-3-carboxylate (CAS No. 2169322-30-7) is a specialized organic compound gaining attention in pharmaceutical and agrochemical research due to its unique molecular structure. This heterocyclic ester combines a 1,2-oxazole ring with a bromoethyl ester moiety, making it a versatile intermediate for synthesizing bioactive molecules. Its CAS registry number ensures precise identification in global chemical databases, while its IUPAC name reflects its functional groups.
Recent trends in drug discovery highlight the demand for novel oxazole derivatives, as they exhibit antimicrobial, anti-inflammatory, and anticancer properties. Researchers are exploring 2-bromoethyl 1,2-oxazole-3-carboxylate as a precursor for small-molecule inhibitors targeting enzyme pathways. In agrochemistry, its potential as a crop protection agent aligns with the growing focus on sustainable agriculture. The compound’s reactivity allows modifications to enhance solubility or bioavailability, addressing common challenges in formulation development.
The synthesis of CAS 2169322-30-7 typically involves esterification of 1,2-oxazole-3-carboxylic acid followed by bromination. Analytical techniques like HPLC and NMR spectroscopy confirm its purity, critical for GMP compliance in pharmaceutical applications. Users frequently search for "oxazole carboxylate solubility" or "bromoethyl ester stability," underscoring the need for detailed technical data. Storage recommendations often include protection from moisture and light to maintain chemical integrity.
Innovations in green chemistry have spurred interest in eco-friendly synthesis routes for 2-bromoethyl 1,2-oxazole-3-carboxylate. Catalytic methods reducing organic solvent usage resonate with industries aiming for carbon footprint reduction. Additionally, computational studies (QSAR modeling) predict its interactions with biological targets, accelerating high-throughput screening processes. These advancements align with search queries like "oxazole derivatives in drug design" or "CAS 2169322-30-7 suppliers," reflecting market demand.
Quality control protocols for 2169322-30-7 emphasize chromatographic purity (>98%) and low heavy-metal content, ensuring safety in API manufacturing. Regulatory frameworks like REACH and FDA guidelines govern its use, with suppliers providing MSDS documentation for risk assessment. The compound’s melting point and spectral data (IR, MS) are frequently requested, highlighting its role in analytical method development.
Future prospects for 2-bromoethyl 1,2-oxazole-3-carboxylate include applications in bioconjugation for antibody-drug conjugates (ADCs) and proteolysis-targeting chimeras (PROTACs). As the pharmaceutical industry shifts toward targeted therapies, this compound’s adaptability positions it as a key building block. Searches for "oxazole-based scaffolds 2024" or "bromoethyl ester reactivity" indicate sustained academic and industrial interest.
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