Cas no 33696-10-5 (2,4-Diethyl-1-nitrobenzene)
2,4-Diethyl-1-nitrobenzene Chemical and Physical Properties
Names and Identifiers
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- 2,4-Diethyl-1-nitrobenzene
- Benzene, 2,4-diethyl-1-nitro-
- STL581790
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- Inchi: 1S/C10H13NO2/c1-3-8-5-6-10(11(12)13)9(4-2)7-8/h5-7H,3-4H2,1-2H3
- InChI Key: OSZWPSNUUXGHIC-UHFFFAOYSA-N
- SMILES: [O-][N+](C1=CC=C(CC)C=C1CC)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 176
- XLogP3: 3.3
- Topological Polar Surface Area: 45.8
2,4-Diethyl-1-nitrobenzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| A2B Chem LLC | BA35598-500mg |
Benzene, 2,4-diethyl-1-nitro- |
33696-10-5 | >95% | 500mg |
$384.00 | 2024-04-20 | |
| A2B Chem LLC | BA35598-1g |
Benzene, 2,4-diethyl-1-nitro- |
33696-10-5 | >95% | 1g |
$405.00 | 2024-04-20 | |
| A2B Chem LLC | BA35598-5g |
Benzene, 2,4-diethyl-1-nitro- |
33696-10-5 | >95% | 5g |
$620.00 | 2024-04-20 | |
| A2B Chem LLC | BA35598-10g |
Benzene, 2,4-diethyl-1-nitro- |
33696-10-5 | >95% | 10g |
$884.00 | 2024-04-20 |
2,4-Diethyl-1-nitrobenzene Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
Additional information on 2,4-Diethyl-1-nitrobenzene
Introduction to 2,4-Diethyl-1-nitrobenzene (CAS No. 33696-10-5)
2,4-Diethyl-1-nitrobenzene, identified by the Chemical Abstracts Service Number (CAS No.) 33696-10-5, is a nitroaromatic compound that has garnered significant attention in the field of organic chemistry and pharmaceutical research. This compound, characterized by its two ethyl groups attached at the 2- and 4-positions of the benzene ring with a nitro group at the 1-position, exhibits a unique set of chemical properties that make it a valuable intermediate in synthetic chemistry and a subject of interest in medicinal chemistry.
The structural configuration of 2,4-Diethyl-1-nitrobenzene imparts it with distinct reactivity patterns, making it useful in various chemical transformations. The presence of the nitro group enhances its electrophilic nature, facilitating reactions such as nucleophilic aromatic substitution and reduction to form aniline derivatives. Additionally, the ethyl groups contribute to steric hindrance and electronic effects that influence its interaction with biological targets.
In recent years, 2,4-Diethyl-1-nitrobenzene has been explored for its potential applications in pharmaceutical development. Researchers have been particularly interested in its derivatives as they may exhibit pharmacological properties useful in treating various diseases. For instance, modifications of the nitro group or the ethyl substituents can lead to compounds with altered bioavailability and target specificity.
One of the most compelling areas of research involving 2,4-Diethyl-1-nitrobenzene is its role as a precursor in synthesizing more complex molecules. The compound's versatility allows chemists to introduce additional functional groups or to undergo sequential reactions that yield structurally diverse products. This has opened up new avenues for drug discovery, where 2,4-Diethyl-1-nitrobenzene serves as a building block for novel therapeutic agents.
The latest advancements in computational chemistry have also shed light on the mechanistic aspects of reactions involving 2,4-Diethyl-1-nitrobenzene. Molecular modeling studies have helped predict reaction outcomes and optimize synthetic pathways, reducing experimental trial-and-error. These computational tools are particularly valuable in designing derivatives with enhanced pharmacological properties.
Furthermore, the environmental impact of using 2,4-Diethyl-1-nitrobenzene as an intermediate has been a topic of discussion. Efforts are underway to develop greener synthetic methods that minimize waste and reduce energy consumption. Catalytic processes and solvent-free reactions are being explored as alternatives to traditional synthetic routes.
The biological activity of 2,4-Diethyl-1-nitrobenzene and its derivatives has been studied extensively. While the compound itself may not exhibit significant biological activity, its structural framework provides a scaffold for designing molecules that interact with biological targets. For example, researchers have investigated how structural modifications can influence binding affinity to enzymes or receptors involved in disease pathways.
In conclusion, 2,4-Diethyl-1-nitrobenzene (CAS No. 33696-10-5) is a multifaceted compound with applications spanning synthetic chemistry and pharmaceutical research. Its unique structure and reactivity make it a valuable tool for developing new drugs and understanding reaction mechanisms at a molecular level. As research continues to evolve, the potential uses of this compound are likely to expand further.
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