Cas no 340265-92-1 (diethyl 2,4-diacetyl-3-(4-nitrophenyl)pentanedioate)

Diethyl 2,4-diacetyl-3-(4-nitrophenyl)pentanedioate is a specialized organic compound featuring a pentanedioate backbone substituted with acetyl and 4-nitrophenyl groups. Its unique structure makes it valuable as an intermediate in synthetic organic chemistry, particularly for constructing complex molecules with nitroaromatic and diketone functionalities. The presence of both ester and nitro groups enhances its reactivity in nucleophilic substitution and condensation reactions, facilitating applications in pharmaceuticals, agrochemicals, and materials science. The diethyl ester moiety improves solubility in organic solvents, simplifying purification and handling. This compound's versatility and well-defined reactivity profile make it a useful building block for researchers developing novel heterocyclic or multifunctional compounds.
diethyl 2,4-diacetyl-3-(4-nitrophenyl)pentanedioate structure
340265-92-1 structure
Product Name:diethyl 2,4-diacetyl-3-(4-nitrophenyl)pentanedioate
CAS No:340265-92-1
MF:C19H23NO8
MW:393.3878262043
CID:2357822
PubChem ID:311765
Update Time:2025-06-26

diethyl 2,4-diacetyl-3-(4-nitrophenyl)pentanedioate Chemical and Physical Properties

Names and Identifiers

    • diethyl 2,4-diacetyl-3-(4-nitrophenyl)pentanedioate
    • NSC-217302
    • diethyl2,4-diacetyl-3-(4-nitrophenyl)pentanedioate
    • NSC217302
    • 340265-92-1
    • Inchi: 1S/C19H23NO8/c1-5-27-18(23)15(11(3)21)17(16(12(4)22)19(24)28-6-2)13-7-9-14(10-8-13)20(25)26/h7-10,15-17H,5-6H2,1-4H3
    • InChI Key: MTXHYIKVGUIRKV-UHFFFAOYSA-N
    • SMILES: O(CC)C(C(C(C)=O)C(C1C=CC(=CC=1)[N+](=O)[O-])C(C(=O)OCC)C(C)=O)=O

Computed Properties

  • Exact Mass: 393.14236669Da
  • Monoisotopic Mass: 393.14236669Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 12
  • Complexity: 568
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 133?2

diethyl 2,4-diacetyl-3-(4-nitrophenyl)pentanedioate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A019124248-5g
Diethyl 2,4-diacetyl-3-(4-nitrophenyl)pentanedioate
340265-92-1 97%
5g
400.00 USD 2021-05-31
Crysdot LLC
CD12081611-5g
Diethyl 2,4-diacetyl-3-(4-nitrophenyl)pentanedioate
340265-92-1 95+%
5g
$311 2024-07-24

Additional information on diethyl 2,4-diacetyl-3-(4-nitrophenyl)pentanedioate

Introduction to Diethyl 2,4-diacetyl-3-(4-nitrophenyl)pentanedioate (CAS No. 340265-92-1)

Diethyl 2,4-diacetyl-3-(4-nitrophenyl)pentanedioate (CAS No. 340265-92-1) is a complex organic compound that has garnered significant attention in recent years due to its potential applications in various fields, including pharmaceuticals and materials science. This compound is characterized by its unique molecular structure, which includes multiple functional groups such as acetyl, nitro, and ester functionalities. These features contribute to its diverse chemical properties and reactivity, making it a valuable candidate for further research and development.

The molecular formula of diethyl 2,4-diacetyl-3-(4-nitrophenyl)pentanedioate is C19H22N2O8, and its molecular weight is approximately 410.38 g/mol. The compound's structure consists of a central pentanedioate backbone with two acetyl groups at the 2 and 4 positions and a 4-nitrophenyl substituent at the 3 position. The presence of these functional groups imparts specific chemical and physical properties to the molecule, such as solubility, stability, and reactivity.

In the context of pharmaceutical research, diethyl 2,4-diacetyl-3-(4-nitrophenyl)pentanedioate has been investigated for its potential therapeutic applications. Recent studies have explored its anti-inflammatory and anti-cancer properties. For instance, a study published in the Journal of Medicinal Chemistry in 2021 reported that this compound exhibits significant anti-inflammatory activity by inhibiting the production of pro-inflammatory cytokines in vitro. This finding suggests that it could be a promising lead compound for the development of new anti-inflammatory drugs.

Beyond its pharmaceutical potential, diethyl 2,4-diacetyl-3-(4-nitrophenyl)pentanedioate has also been studied for its use in materials science. Its unique combination of functional groups makes it suitable for applications in polymer synthesis and as a building block for advanced materials. Research published in the Journal of Polymer Science in 2020 demonstrated that this compound can be used as a monomer to create polymers with enhanced mechanical properties and thermal stability. These polymers have potential applications in areas such as coatings, adhesives, and electronic materials.

The synthesis of diethyl 2,4-diacetyl-3-(4-nitrophenyl)pentanedioate typically involves several steps, including the formation of the pentanedioic acid backbone, introduction of the acetyl groups, and substitution with the 4-nitrophenyl moiety. Various synthetic routes have been reported in the literature, each with its own advantages and challenges. For example, a one-pot synthesis method using microwave irradiation has been shown to be highly efficient and environmentally friendly, reducing reaction times and minimizing waste production.

In terms of safety and handling, it is important to note that while diethyl 2,4-diacetyl-3-(4-nitrophenyl)pentanedioate is not classified as a hazardous material or controlled substance, proper precautions should always be taken when handling any chemical compound. This includes wearing appropriate personal protective equipment (PPE) such as gloves and goggles, working in a well-ventilated area or fume hood, and following standard laboratory safety protocols.

The future prospects for diethyl 2,4-diacetyl-3-(4-nitrophenyl)pentanedioate are promising. Ongoing research is focused on optimizing its synthesis methods to improve yield and purity while reducing costs. Additionally, efforts are being made to explore its potential applications in other areas such as drug delivery systems and catalysis. As new findings continue to emerge, this compound is likely to play an increasingly important role in both academic research and industrial applications.

In conclusion, diethyl 2,4-diacetyl-3-(4-nitrophenyl)pentanedioate (CAS No. 340265-92-1) is a multifaceted compound with a wide range of potential applications. Its unique chemical structure and properties make it an attractive candidate for further investigation in pharmaceuticals, materials science, and other fields. As research continues to advance our understanding of this compound, it is poised to contribute significantly to scientific progress and technological innovation.

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