Cas no 1177354-50-5 (4-Bromo-1H-pyrazole-1-acetamide)
4-Bromo-1H-pyrazole-1-acetamide Chemical and Physical Properties
Names and Identifiers
-
- 4-Bromo-1H-pyrazole-1-acetamide
- 2-(4-Bromo-1H-pyrazol-1-yl)acetamide
- 2-(4-bromopyrazol-1-yl)acetamide
- 2-(4-bromo-1H-pyrazol-1-yl)acetamide(SALTDATA: FREE)
- VS-11020
- DB-099814
- DTXSID90657643
- SCHEMBL1140165
- BBL032144
- MFCD12030834
- Z733308504
- STL153714
- 1177354-50-5
- AKOS002657193
-
- MDL: MFCD12030834
- Inchi: 1S/C5H6BrN3O/c6-4-1-8-9(2-4)3-5(7)10/h1-2H,3H2,(H2,7,10)
- InChI Key: QOTHDPSGRAJMJH-UHFFFAOYSA-N
- SMILES: BrC1C=NN(C=1)CC(N)=O
Computed Properties
- Exact Mass: 202.96942g/mol
- Monoisotopic Mass: 202.96942g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 141
- 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: 0
- Topological Polar Surface Area: 60.9?2
Experimental Properties
- Density: 1.9±0.1 g/cm3
- Boiling Point: 391.6±22.0 °C at 760 mmHg
- Flash Point: 190.7±22.3 °C
- Vapor Pressure: 0.0±0.9 mmHg at 25°C
4-Bromo-1H-pyrazole-1-acetamide Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
4-Bromo-1H-pyrazole-1-acetamide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B687080-2.5g |
4-Bromo-1H-pyrazole-1-acetamide |
1177354-50-5 | 2.5g |
$ 170.00 | 2022-06-06 | ||
| TRC | B687080-250g |
4-Bromo-1H-pyrazole-1-acetamide |
1177354-50-5 | 250g |
$ 1360.00 | 2022-06-06 | ||
| abcr | AB266213-250 mg |
2-(4-Bromo-1H-pyrazol-1-yl)acetamide |
1177354-50-5 | 250MG |
€199.00 | 2022-03-03 | ||
| abcr | AB266213-1 g |
2-(4-Bromo-1H-pyrazol-1-yl)acetamide |
1177354-50-5 | 1g |
€356.30 | 2022-03-03 | ||
| abcr | AB266213-5 g |
2-(4-Bromo-1H-pyrazol-1-yl)acetamide |
1177354-50-5 | 5g |
€1,129.10 | 2022-03-03 | ||
| TRC | B687080-10g |
4-Bromo-1H-pyrazole-1-acetamide |
1177354-50-5 | 10g |
$ 800.00 | 2023-09-08 | ||
| abcr | AB266213-250mg |
2-(4-Bromo-1H-pyrazol-1-yl)acetamide; . |
1177354-50-5 | 250mg |
€270.60 | 2024-04-20 | ||
| abcr | AB266213-1g |
2-(4-Bromo-1H-pyrazol-1-yl)acetamide; . |
1177354-50-5 | 1g |
€473.60 | 2024-04-20 | ||
| abcr | AB266213-5g |
2-(4-Bromo-1H-pyrazol-1-yl)acetamide; . |
1177354-50-5 | 5g |
€1382.90 | 2024-04-20 | ||
| eNovation Chemicals LLC | Y1232958-1g |
2-(4-bromo-1H-pyrazol-1-yl)acetamide |
1177354-50-5 | 95% | 1g |
$320 | 2024-06-07 |
4-Bromo-1H-pyrazole-1-acetamide Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
Additional information on 4-Bromo-1H-pyrazole-1-acetamide
4-Bromo-1H-pyrazole-1-acetamide: A Versatile Chemical Intermediate in Modern Research and Applications
4-Bromo-1H-pyrazole-1-acetamide, with CAS number 1177354-50-5, is a specialized heterocyclic compound that has garnered significant attention in chemical research and industrial applications. This molecule, characterized by its pyrazole ring structure substituted with a bromine atom and an acetamide functional group, serves as a key intermediate in the synthesis of various advanced materials and bioactive compounds. Its unique properties make it valuable in fields such as medicinal chemistry, agrochemical development, and materials science. Researchers and industry professionals often search for terms like 4-Bromo-1H-pyrazole-1-acetamide synthesis, CAS 1177354-50-5 applications, and pyrazole derivatives in drug discovery, reflecting the growing interest in optimizing synthetic pathways and exploring novel uses for this compound. The rise of AI-driven drug design and green chemistry initiatives has further amplified its relevance, as scientists seek efficient, sustainable methods to produce high-purity intermediates for innovation.
The chemical structure of 4-Bromo-1H-pyrazole-1-acetamide features a five-membered pyrazole ring, which is known for its stability and versatility in organic synthesis. The bromine substituent at the 4-position enhances reactivity, facilitating cross-coupling reactions such as Suzuki or Buchwald-Hartwig animations, commonly used in pharmaceutical research to create complex molecules. The acetamide group contributes to solubility and hydrogen-bonding capabilities, making it an ideal building block for designing compounds with specific biological activities. This structural synergy allows for modifications that align with current trends in personalized medicine and targeted therapies, where precision in molecular design is crucial. Searches for pyrazole-based intermediates and brominated heterocycles in synthesis highlight its role in addressing challenges like drug resistance and the development of new antimicrobial agents, topics highly relevant in post-pandemic research landscapes.
In medicinal chemistry, 4-Bromo-1H-pyrazole-1-acetamide is extensively utilized as a precursor in the synthesis of potential therapeutic agents. Its applications span the creation of kinase inhibitors, anti-inflammatory drugs, and anticancer compounds, leveraging the pyrazole core's ability to interact with biological targets. For instance, it can be incorporated into molecules that modulate enzyme activity, a strategy pivotal in oncology and neurology research. The compound's compatibility with high-throughput screening and computational modeling—often integrated with AI tools for predictive analysis—makes it a hotspot for inquiries such as AI in chemical synthesis optimization and drug discovery intermediates. This aligns with broader scientific movements toward data-driven approaches, where reducing trial-and-error in lab work accelerates innovation while minimizing environmental impact through smarter resource use.
Beyond pharmaceuticals, 4-Bromo-1H-pyrazole-1-acetamide finds applications in agrochemicals, contributing to the development of novel pesticides and herbicides with improved efficacy and lower ecological footprints. Its structural motifs enable the design of compounds that target specific pests without harming beneficial organisms, supporting sustainable agriculture practices. This resonates with global concerns over food security and climate change, driving searches for green agrochemical intermediates and eco-friendly synthesis routes. Additionally, in materials science, it aids in creating functional polymers and sensors, where its electronic properties can be harnessed for advanced devices. The compound's role in these diverse sectors underscores its importance in interdisciplinary research, often explored through queries like multifunctional chemical building blocks and applications of bromopyrazoles.
The synthesis of 4-Bromo-1H-pyrazole-1-acetamide typically involves bromination and amidation steps, with recent advancements focusing on catalytic methods and solvent-free reactions to enhance sustainability. Techniques such as flow chemistry and microwave-assisted synthesis are gaining traction, reducing energy consumption and waste—a response to the increasing demand for green chemistry solutions and sustainable chemical production. These innovations not only improve efficiency but also align with regulatory trends emphasizing safer industrial processes. Researchers frequently investigate optimized synthesis of CAS 1177354-50-5 to achieve higher yields and purity, crucial for scaling up applications in commercial settings while adhering to environmental standards.
Quality control and analytical characterization are vital for 4-Bromo-1H-pyrazole-1-acetamide, employing techniques like NMR spectroscopy, mass spectrometry, and HPLC to ensure consistency and safety. This emphasis on precision meets the needs of industries requiring reliable intermediates for high-stakes applications, such as pharmaceuticals, where impurities can affect efficacy. The compound's stability under various conditions also makes it a subject of studies on chemical storage and handling best practices, though it is not classified under restricted categories, focusing instead on practical usability. As interest grows in custom chemical synthesis services, this compound is often sourced for tailored projects, highlighting its adaptability in meeting specific research objectives.
Looking ahead, 4-Bromo-1H-pyrazole-1-acetamide is poised to play a pivotal role in emerging technologies, including bioorthogonal chemistry and nanotechnology, where its functional groups enable precise modifications. The integration of machine learning in chemical research may further unlock its potential, predicting novel reactions and applications that reduce development timelines. This forward-looking perspective caters to searches on future trends in chemical intermediates and innovation in heterocyclic chemistry, positioning the compound as a cornerstone of next-generation scientific advancements. By continuing to explore its capabilities, the scientific community can drive progress in health, agriculture, and technology, ensuring that 4-Bromo-1H-pyrazole-1-acetamide remains a valuable asset in the global innovation ecosystem.
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