Cas no 52962-97-7 (2,3-Dimethyl-4-nitro-benzonitrile)
2,3-Dimethyl-4-nitro-benzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2,3-dimethyl-4-nitrobenzonitrile
- 2,3-Dimethyl-4-nitro-benzonitrile
- 4-Nitro-2,3-dimethyl-benzonitril
- DB-071616
- 52962-97-7
- DTXSID20629070
- UCGNNMMSNHKPDW-UHFFFAOYSA-N
- SCHEMBL5418172
-
- Inchi: 1S/C9H8N2O2/c1-6-7(2)9(11(12)13)4-3-8(6)5-10/h3-4H,1-2H3
- InChI Key: UCGNNMMSNHKPDW-UHFFFAOYSA-N
- SMILES: [O-][N+](C1=CC=C(C#N)C(C)=C1C)=O
Computed Properties
- Exact Mass: 176.05900
- Monoisotopic Mass: 176.058577502g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 250
- 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: 2.2
- Topological Polar Surface Area: 69.6?2
Experimental Properties
- PSA: 69.61000
- LogP: 2.60648
2,3-Dimethyl-4-nitro-benzonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A010012956-250mg |
2,3-Dimethyl-4-nitrobenzonitrile |
52962-97-7 | 97% | 250mg |
$470.40 | 2023-09-01 | |
| Alichem | A010012956-500mg |
2,3-Dimethyl-4-nitrobenzonitrile |
52962-97-7 | 97% | 500mg |
$863.90 | 2023-09-01 | |
| Alichem | A010012956-1g |
2,3-Dimethyl-4-nitrobenzonitrile |
52962-97-7 | 97% | 1g |
$1445.30 | 2023-09-01 | |
| TRC | D481870-1mg |
2,3-Dimethyl-4-nitro-benzonitrile |
52962-97-7 | 1mg |
$ 50.00 | 2022-06-05 | ||
| TRC | D481870-2mg |
2,3-Dimethyl-4-nitro-benzonitrile |
52962-97-7 | 2mg |
$ 65.00 | 2022-06-05 | ||
| TRC | D481870-10mg |
2,3-Dimethyl-4-nitro-benzonitrile |
52962-97-7 | 10mg |
$ 160.00 | 2022-06-05 | ||
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1651453-100mg |
2,3-Dimethyl-4-nitrobenzonitrile |
52962-97-7 | 98% | 100mg |
¥2074.00 | 2024-05-10 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1651453-1g |
2,3-Dimethyl-4-nitrobenzonitrile |
52962-97-7 | 98% | 1g |
¥9109.00 | 2024-05-10 |
2,3-Dimethyl-4-nitro-benzonitrile Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
Additional information on 2,3-Dimethyl-4-nitro-benzonitrile
Recent Advances in the Study of 2,3-Dimethyl-4-nitro-benzonitrile (CAS: 52962-97-7): A Comprehensive Research Brief
2,3-Dimethyl-4-nitro-benzonitrile (CAS: 52962-97-7) is a nitrile-substituted aromatic compound that has garnered significant attention in the field of chemical biology and pharmaceutical research due to its versatile applications in drug discovery and material science. Recent studies have explored its potential as a key intermediate in the synthesis of bioactive molecules, particularly in the development of kinase inhibitors and antimicrobial agents. This research brief provides an in-depth analysis of the latest findings related to this compound, highlighting its chemical properties, synthetic routes, and biological activities.
One of the most notable advancements in the study of 2,3-Dimethyl-4-nitro-benzonitrile is its role in the synthesis of novel kinase inhibitors. A 2023 study published in the Journal of Medicinal Chemistry demonstrated that derivatives of this compound exhibit potent inhibitory activity against cyclin-dependent kinases (CDKs), which are critical targets in cancer therapy. The researchers utilized a structure-activity relationship (SAR) approach to optimize the compound's scaffold, resulting in derivatives with improved selectivity and pharmacokinetic profiles. These findings underscore the potential of 2,3-Dimethyl-4-nitro-benzonitrile as a valuable building block for anticancer drug development.
In addition to its applications in oncology, recent research has also explored the antimicrobial properties of 2,3-Dimethyl-4-nitro-benzonitrile. A study conducted by a team at the University of Cambridge revealed that this compound exhibits broad-spectrum activity against Gram-positive bacteria, including methicillin-resistant Staphylococcus aureus (MRSA). The mechanism of action appears to involve disruption of bacterial cell wall synthesis, as evidenced by electron microscopy and molecular docking studies. These results suggest that 2,3-Dimethyl-4-nitro-benzonitrile could serve as a promising lead compound for the development of new antibiotics to address the growing threat of antimicrobial resistance.
From a synthetic chemistry perspective, recent efforts have focused on developing more efficient and sustainable routes to produce 2,3-Dimethyl-4-nitro-benzonitrile. A 2022 publication in Organic Process Research & Development described a green chemistry approach utilizing catalytic nitration and cyanation reactions, which significantly reduced the environmental impact of the synthesis. This method not only improved the yield and purity of the compound but also minimized the generation of hazardous byproducts, aligning with the principles of green chemistry.
Looking ahead, the potential applications of 2,3-Dimethyl-4-nitro-benzonitrile extend beyond pharmaceuticals. Emerging research in materials science has identified this compound as a precursor for the synthesis of organic semiconductors and liquid crystals. Its unique electronic properties, attributed to the nitro and nitrile functional groups, make it a promising candidate for use in optoelectronic devices. Ongoing studies are investigating its performance in organic light-emitting diodes (OLEDs) and photovoltaic cells, with preliminary results indicating high charge carrier mobility and thermal stability.
In conclusion, 2,3-Dimethyl-4-nitro-benzonitrile (CAS: 52962-97-7) represents a multifaceted compound with significant potential across multiple scientific disciplines. The latest research highlights its utility in drug discovery, antimicrobial development, and advanced materials, while also addressing the need for sustainable synthesis methods. As investigations into its properties and applications continue, this compound is poised to play an increasingly important role in addressing some of the most pressing challenges in chemical biology and pharmaceutical sciences.
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