Cas no 618441-98-8 (3',5'-Dichloro-2'-fluorophenacyl bromide)
3',5'-Dichloro-2'-fluorophenacyl bromide Chemical and Physical Properties
Names and Identifiers
-
- 3',5'-Dichloro-2'-fluorophenacyl bromide
- AKOS024416369
- 618441-98-8
- SY358420
- 2-bromo-1-(3,5-dichloro-2-fluorophenyl)ethanone
- MFCD05154992
- SCHEMBL2099178
- 646-360-8
-
- Inchi: 1S/C8H4BrCl2FO/c9-3-7(13)5-1-4(10)2-6(11)8(5)12/h1-2H,3H2
- InChI Key: MOMGBDKPHFILQZ-UHFFFAOYSA-N
- SMILES: BrCC(C1C=C(C=C(C=1F)Cl)Cl)=O
Computed Properties
- Exact Mass: 283.88066g/mol
- Monoisotopic Mass: 283.88066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 203
- 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: 3.8
- Topological Polar Surface Area: 17.1?2
3',5'-Dichloro-2'-fluorophenacyl bromide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1585313-50mg |
2-Bromo-1-(3,5-dichloro-2-fluorophenyl)ethanone |
618441-98-8 | 98% | 50mg |
¥306.00 | 2024-05-06 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1585313-250mg |
2-Bromo-1-(3,5-dichloro-2-fluorophenyl)ethanone |
618441-98-8 | 98% | 250mg |
¥1093.00 | 2024-05-06 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1585313-1g |
2-Bromo-1-(3,5-dichloro-2-fluorophenyl)ethanone |
618441-98-8 | 98% | 1g |
¥2398.00 | 2024-05-06 |
3',5'-Dichloro-2'-fluorophenacyl bromide Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
Additional information on 3',5'-Dichloro-2'-fluorophenacyl bromide
Professional Introduction to 3',5'-Dichloro-2'-fluorophenacyl bromide (CAS No. 618441-98-8)
3',5'-Dichloro-2'-fluorophenacyl bromide is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal biology. This compound, identified by its Chemical Abstracts Service Number (CAS No.) 618441-98-8, is a halogenated phenacyl derivative with a unique structural configuration that makes it a valuable intermediate in the synthesis of various bioactive molecules. The presence of both chlorine and fluorine substituents in its molecular framework imparts distinct reactivity and electronic properties, which are exploited in the development of novel therapeutic agents.
The< strong>3',5'-Dichloro-2'-fluorophenacyl bromide molecule consists of a phenacyl core substituted with two chlorine atoms at the 3' and 5' positions and a fluorine atom at the 2' position. This specific arrangement enhances its utility as a building block in organic synthesis, particularly in the construction of complex heterocyclic scaffolds. The halogen atoms not only facilitate cross-coupling reactions but also influence the compound's interaction with biological targets, making it a promising candidate for drug discovery.
In recent years, there has been a surge in research focused on developing small-molecule inhibitors targeting various disease pathways. The< strong>3',5'-Dichloro-2'-fluorophenacyl bromide has been explored as a key intermediate in the synthesis of kinase inhibitors, which are critical in treating cancers and inflammatory diseases. For instance, studies have demonstrated its role in generating potent inhibitors of tyrosine kinases, where the electron-withdrawing nature of the chlorine and fluorine substituents enhances binding affinity to the enzyme's active site.
Moreover, the< strong>3',5'-Dichloro-2'-fluorophenacyl bromide has shown promise in the development of antiviral agents. Researchers have leveraged its structural features to design molecules that disrupt viral replication cycles. The halogen atoms contribute to the compound's ability to interact with viral proteases and polymerases, thereby inhibiting viral propagation. Preliminary studies have highlighted its potential in combating RNA viruses, including those responsible for emerging infectious diseases.
The< strong>CAS No. 618441-98-8 associated with this compound ensures its traceability and specificity in chemical databases and literature. This standardized identification is crucial for researchers who rely on precise molecular descriptors for experimental design and data analysis. The compound's properties have been thoroughly characterized through spectroscopic techniques such as nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry (MS), and X-ray crystallography, providing a comprehensive understanding of its structure-function relationships.
The synthesis of< strong>3',5'-Dichloro-2'-fluorophenacyl bromide involves multi-step organic transformations that highlight the ingenuity of modern synthetic methodologies. Key steps include halogenation reactions, cross-coupling processes, and purification techniques that ensure high yield and purity. These synthetic strategies are often tailored to maximize efficiency while minimizing side reactions, underscoring the importance of optimizing reaction conditions for industrial-scale production.
In academic research, the< strong>3',5'-Dichloro-2'-fluorophenacyl bromide has been utilized as a scaffold for structure-activity relationship (SAR) studies. By systematically modifying its substituents, researchers can elucidate how different functional groups influence biological activity. Such studies are instrumental in identifying lead compounds that exhibit desired pharmacological properties while avoiding toxic side effects. The versatility of this intermediate allows for rapid screening of diverse molecular libraries, accelerating the drug discovery process.
The< strong>CAS No. 618441-98-8 serves as a unique identifier for regulatory purposes, ensuring compliance with international chemical safety standards. Manufacturers and distributors rely on this number for proper classification, labeling, and handling guidelines. While< strong>3',5'-Dichloro-2'-fluorophenacyl bromide is not classified as a hazardous material under current regulations, adherence to safety protocols is essential to prevent accidental exposure during handling and transportation.
The future prospects of< strong>3',5'-Dichloro-2'-fluorophenacyl bromide are vast, particularly as new synthetic routes are developed and its applications in drug discovery expand. Advances in computational chemistry and artificial intelligence are enabling more efficient virtual screening methods to identify potential drug candidates derived from this intermediate. Additionally, green chemistry principles are being integrated into synthetic workflows to reduce environmental impact while maintaining high yields.
In conclusion, the< strong>3',5'-Dichloro-2'-fluorophenacyl bromide (CAS No. 618441-98-8) represents a significant advancement in pharmaceutical chemistry due to its versatile reactivity and potential applications in drug development. Its role as an intermediate in synthesizing bioactive molecules underscores its importance in modern medicinal biology. As research continues to uncover new therapeutic applications, this compound is poised to remain at the forefront of innovation in drug discovery.
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