Cas no 886503-74-8 (2,3-Difluoro-4-methoxyphenylacetonitrile)
2,3-Difluoro-4-methoxyphenylacetonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2,3-Difluoro-4-methoxyphenylacetonitrile
- 2-(2,3-Difluoro-4-methoxyphenyl)acetonitrile
- E76424
- MFCD06660320
- AKOS006295638
- 886503-74-8
- SCHEMBL7097601
- CS-0199256
- JS-4497
- LKB50374
-
- MDL: MFCD06660320
- Inchi: 1S/C9H7F2NO/c1-13-7-3-2-6(4-5-12)8(10)9(7)11/h2-3H,4H2,1H3
- InChI Key: YVIZAGHEMVWERG-UHFFFAOYSA-N
- SMILES: FC1C(=C(C=CC=1CC#N)OC)F
Computed Properties
- Exact Mass: 183.04957017g/mol
- Monoisotopic Mass: 183.04957017g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 213
- 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: 1.7
- Topological Polar Surface Area: 33?2
2,3-Difluoro-4-methoxyphenylacetonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Apollo Scientific | PC302153-1g |
2,3-Difluoro-4-methoxyphenylacetonitrile |
886503-74-8 | 97% | 1g |
£148.00 | 2025-02-21 | |
| Apollo Scientific | PC302153-5g |
2,3-Difluoro-4-methoxyphenylacetonitrile |
886503-74-8 | 97% | 5g |
£595.00 | 2025-02-21 | |
| abcr | AB404038-1 g |
2,3-Difluoro-4-methoxyphenylacetonitrile |
886503-74-8 | 1g |
€303.40 | 2023-04-25 | ||
| abcr | AB404038-5 g |
2,3-Difluoro-4-methoxyphenylacetonitrile |
886503-74-8 | 5g |
€1099.10 | 2023-04-25 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-KS749-200mg |
2,3-Difluoro-4-methoxyphenylacetonitrile |
886503-74-8 | 95+% | 200mg |
380.0CNY | 2021-07-15 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-KS749-50mg |
2,3-Difluoro-4-methoxyphenylacetonitrile |
886503-74-8 | 95+% | 50mg |
157.0CNY | 2021-07-15 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-KS749-1g |
2,3-Difluoro-4-methoxyphenylacetonitrile |
886503-74-8 | 95+% | 1g |
1142.0CNY | 2021-07-15 | |
| eNovation Chemicals LLC | Y1213551-5g |
2-(2,3-Difluoro-4-methoxyphenyl)acetonitrile |
886503-74-8 | 95% | 5g |
$600 | 2024-07-23 | |
| abcr | AB404038-250mg |
2,3-Difluoro-4-methoxyphenylacetonitrile; . |
886503-74-8 | 250mg |
€110.20 | 2025-03-19 | ||
| abcr | AB404038-1g |
2,3-Difluoro-4-methoxyphenylacetonitrile; . |
886503-74-8 | 1g |
€122.10 | 2025-03-19 |
2,3-Difluoro-4-methoxyphenylacetonitrile Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
Additional information on 2,3-Difluoro-4-methoxyphenylacetonitrile
Introduction to 2,3-Difluoro-4-methoxyphenylacetonitrile (CAS No. 886503-74-8)
2,3-Difluoro-4-methoxyphenylacetonitrile is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and chemical research due to its unique structural and functional properties. With the CAS number 886503-74-8, this compound serves as a crucial intermediate in the synthesis of various biologically active molecules. Its molecular structure, characterized by the presence of both fluoro and methoxy substituents, imparts distinct reactivity and stability, making it a valuable building block for drug development and material science applications.
The fluoro and methoxy functional groups in 2,3-Difluoro-4-methoxyphenylacetonitrile play a pivotal role in modulating the electronic and steric properties of the molecule. The fluorine atoms, known for their ability to enhance metabolic stability and binding affinity, contribute to the compound's suitability for medicinal chemistry applications. Meanwhile, the methoxy group introduces polarity and hydrophilicity, which can influence solubility and interaction with biological targets. This combination of substituents makes 2,3-Difluoro-4-methoxyphenylacetonitrile a versatile precursor for designing novel therapeutic agents.
In recent years, there has been a surge in research focused on developing small-molecule inhibitors targeting complex diseases such as cancer, inflammation, and neurodegenerative disorders. The structural motifs present in 2,3-Difluoro-4-methoxyphenylacetonitrile have been leveraged to create molecules with enhanced pharmacological profiles. For instance, studies have demonstrated its utility in synthesizing kinase inhibitors, where the fluoro group helps in optimizing binding interactions with the enzyme active site. Additionally, derivatives of this compound have shown promise in modulating signaling pathways involved in disease progression.
One of the most compelling aspects of 2,3-Difluoro-4-methoxyphenylacetonitrile is its role in generating libraries of compounds for high-throughput screening (HTS). The structural diversity introduced by varying reaction conditions or substituents allows researchers to explore a wide range of biological activities. Recent advancements in computational chemistry have further accelerated this process by enabling virtual screening of potential hits derived from this intermediate. Such methodologies have been instrumental in identifying lead compounds that exhibit high efficacy and low toxicity.
The pharmaceutical industry has also recognized the importance of 2,3-Difluoro-4-methoxyphenylacetonitrile in developing next-generation therapeutics. Its incorporation into drug candidates has led to improved pharmacokinetic properties, including enhanced bioavailability and reduced clearance rates. This is particularly relevant in the context of oral medications, where these attributes can significantly impact therapeutic outcomes. Moreover, the compound's compatibility with various synthetic protocols makes it an attractive choice for industrial-scale production.
Beyond pharmaceutical applications, 2,3-Difluoro-4-methoxyphenylacetonitrile finds utility in material science research. Its unique electronic properties make it suitable for developing organic semiconductors and optoelectronic materials. These materials are integral to technologies such as organic light-emitting diodes (OLEDs) and photovoltaic cells, where precise control over molecular structure is essential for optimizing performance. The ability to fine-tune electronic characteristics through strategic substitution has positioned this compound as a key player in advancing sustainable technologies.
The synthesis of 2,3-Difluoro-4-methoxyphenylacetonitrile itself is a testament to the progress achieved in synthetic organic chemistry. Modern methodologies have enabled more efficient and scalable production processes compared to earlier techniques. This improvement not only reduces costs but also minimizes waste generation, aligning with green chemistry principles. Researchers continue to explore innovative synthetic routes to further enhance yield and purity while maintaining scalability.
As our understanding of biological systems evolves, so does the demand for sophisticated chemical tools like 2,3-Difluoro-4-methoxyphenylacetonitrile. The integration of machine learning and artificial intelligence into drug discovery has opened new avenues for designing molecules with tailored properties. By leveraging these technologies alongside traditional chemical intuition, scientists can accelerate the development of novel therapeutics that address unmet medical needs more effectively than ever before.
In conclusion,2,3-Difluoro-4-methoxyphenylacetonitrile (CAS No. 886503-74-8) represents a cornerstone compound in modern chemical research with far-reaching implications across multiple disciplines. Its unique structural features combined with its versatility make it an indispensable tool for scientists striving to push the boundaries of medicine and materials science forward.
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