Cas no 33696-10-5 (2,4-Diethyl-1-nitrobenzene)

2,4-Diethyl-1-nitrobenzene is an aromatic nitro compound characterized by its molecular formula C??H??NO?. This compound features a benzene ring substituted with two ethyl groups at the 2- and 4-positions and a nitro group at the 1-position. Its structural properties make it a valuable intermediate in organic synthesis, particularly in the production of dyes, agrochemicals, and pharmaceuticals. The electron-withdrawing nitro group and electron-donating ethyl substituents influence its reactivity, enabling selective functionalization. It exhibits moderate stability under standard conditions and is soluble in common organic solvents, facilitating its use in various chemical processes. Care should be taken due to its potential sensitivity to heat and shock.
2,4-Diethyl-1-nitrobenzene structure
2,4-Diethyl-1-nitrobenzene structure
Product Name:2,4-Diethyl-1-nitrobenzene
CAS No:33696-10-5
MF:C10H13NO2
MW:179.215722799301
CID:2945224
Update Time:2025-10-29

2,4-Diethyl-1-nitrobenzene Chemical and Physical Properties

Names and Identifiers

    • 2,4-Diethyl-1-nitrobenzene
    • Benzene, 2,4-diethyl-1-nitro-
    • STL581790
    • 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

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.

Recommended suppliers
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Wuhan ChemNorm Biotech Co.,Ltd.
Jiangsu Kolod Food Ingredients Co.,ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangsu Kolod Food Ingredients Co.,ltd
Zhejiang Brunova Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Zhejiang Brunova Technology Co., Ltd.
Jiangsu Xinsu New Materials Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangsu Xinsu New Materials Co., Ltd
Essenoi Fine Chemical Co., Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent