Cas no 1805577-07-4 (Ethyl 2-bromo-4-chloropyridine-6-acetate)
Ethyl 2-bromo-4-chloropyridine-6-acetate Chemical and Physical Properties
Names and Identifiers
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- Ethyl 2-bromo-4-chloropyridine-6-acetate
- Ethyl 2-(6-bromo-4-chloropyridin-2-yl)acetate
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- Inchi: 1S/C9H9BrClNO2/c1-2-14-9(13)5-7-3-6(11)4-8(10)12-7/h3-4H,2,5H2,1H3
- InChI Key: ZKQAPXQSBWZDKS-UHFFFAOYSA-N
- SMILES: BrC1=CC(=CC(CC(=O)OCC)=N1)Cl
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 203
- XLogP3: 2.7
- Topological Polar Surface Area: 39.2
Ethyl 2-bromo-4-chloropyridine-6-acetate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A029013996-250mg |
Ethyl 2-bromo-4-chloropyridine-6-acetate |
1805577-07-4 | 95% | 250mg |
$970.20 | 2022-04-01 | |
| Alichem | A029013996-1g |
Ethyl 2-bromo-4-chloropyridine-6-acetate |
1805577-07-4 | 95% | 1g |
$2,837.10 | 2022-04-01 |
Ethyl 2-bromo-4-chloropyridine-6-acetate Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
Additional information on Ethyl 2-bromo-4-chloropyridine-6-acetate
Comprehensive Overview of Ethyl 2-bromo-4-chloropyridine-6-acetate (CAS No. 1805577-07-4)
Ethyl 2-bromo-4-chloropyridine-6-acetate (CAS No. 1805577-07-4) is a specialized organic compound widely utilized in pharmaceutical and agrochemical research. This compound belongs to the pyridine derivative family, characterized by its unique bromo and chloro substituents, which enhance its reactivity and applicability in synthetic chemistry. Its molecular structure, featuring an ethyl acetate moiety, makes it a versatile intermediate for constructing complex molecules. Researchers and industries value this compound for its role in developing novel active pharmaceutical ingredients (APIs) and crop protection agents.
The growing demand for pyridine-based intermediates like Ethyl 2-bromo-4-chloropyridine-6-acetate is driven by advancements in drug discovery and precision agriculture. With the rise of AI-driven molecular design and high-throughput screening, this compound has gained attention for its potential in optimizing structure-activity relationships (SAR). Its halogenated pyridine core is particularly valuable for cross-coupling reactions, such as Suzuki-Miyaura or Buchwald-Hartwig couplings, which are pivotal in modern medicinal chemistry.
From an environmental perspective, Ethyl 2-bromo-4-chloropyridine-6-acetate aligns with the trend toward sustainable synthesis. Laboratories are increasingly adopting green chemistry principles to minimize waste and energy consumption during its production. This compound’s stability under controlled conditions also makes it suitable for large-scale manufacturing, addressing the need for cost-effective chemical processes in the pharmaceutical sector.
In the context of intellectual property, CAS No. 1805577-07-4 has been referenced in patents related to anticancer agents and herbicides. Its structural motifs are frequently explored in fragment-based drug design, a hot topic in biotech innovation. Additionally, its compatibility with flow chemistry techniques positions it as a candidate for continuous production, a method gaining traction due to its efficiency and scalability.
For researchers seeking high-purity Ethyl 2-bromo-4-chloropyridine-6-acetate, analytical methods such as HPLC and NMR are critical for quality control. The compound’s spectral data (e.g., 1H/13C NMR) is often shared in open-access databases, supporting reproducible science. As the scientific community emphasizes data transparency, suppliers now provide detailed certificates of analysis (CoA) to meet regulatory standards like REACH and GMP.
Looking ahead, Ethyl 2-bromo-4-chloropyridine-6-acetate is poised to play a pivotal role in emerging fields like proteolysis-targeting chimeras (PROTACs) and agrochemical bioisosteres. Its adaptability to catalyzed reactions and compatibility with bioorthogonal chemistry further expand its utility. With the global fine chemicals market projected to grow, this compound remains a key asset for innovators addressing challenges in human health and food security.
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