Cas no 21633-78-3 (Diethylisobutyroylmalonate)

Diethylisobutyroylmalonate is a versatile malonate ester derivative widely used in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its key advantage lies in its reactivity as a bifunctional building block, enabling efficient alkylation, condensation, and cyclization reactions. The isobutyroyl and malonate moieties provide steric and electronic tuning, facilitating selective transformations. This compound is valued for its stability, ease of handling, and compatibility with various reaction conditions. Its applications include the synthesis of heterocycles, fine chemicals, and intermediates for active pharmaceutical ingredients (APIs). Diethylisobutyroylmalonate is a reliable reagent for researchers seeking controlled functionalization in complex molecular frameworks.
Diethylisobutyroylmalonate structure
Diethylisobutyroylmalonate structure
Product Name:Diethylisobutyroylmalonate
CAS No:21633-78-3
MF:C11H18O5
MW:230.257624149323
CID:911942
PubChem ID:300036
Update Time:2025-06-12

Diethylisobutyroylmalonate Chemical and Physical Properties

Names and Identifiers

    • DIETHYL ISOBUTYROYLMALONATE
    • AC1L6VF5
    • AG-B-20601
    • CTK1A6002
    • diethyl 2'-oxoisopentylmalonate
    • diethyl isobutyrylmalonate
    • Ethyl-isobutyryl-malonat
    • isobutyrylmalonic acid diethyl ester
    • Isobutyryl-malonsaeure-diaethylester
    • Isobutyrylmalonsaeure-diethylester
    • NSC174095
    • Diethylisobutyroylmalonate
    • diethyl2-isobutyrylmalonate
    • 1,3-diethyl 2-(2-methylpropanoyl)propanedioate
    • DTXSID70306102
    • E76030
    • BS-49393
    • MFCD00048557
    • AKOS010951814
    • 2-(2-methyl-propanoyl)-propanedioic acid diethyl ester
    • Diethyl (2-methylpropanoyl)propanedioate
    • NSC-174095
    • DB-095896
    • 21633-78-3
    • diethyl 2-(2-methylpropanoyl)propanedioate
    • diethyl 2-isobutyrylmalonate
    • CS-0187761
    • MDL: MFCD00048557
    • Inchi: 1S/C11H18O5/c1-5-15-10(13)8(9(12)7(3)4)11(14)16-6-2/h7-8H,5-6H2,1-4H3
    • InChI Key: CBFJLYQEACAOLC-UHFFFAOYSA-N
    • SMILES: O(CC)C(C(C(=O)OCC)C(C(C)C)=O)=O

Computed Properties

  • Exact Mass: 230.11544
  • Monoisotopic Mass: 230.11542367g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 8
  • Complexity: 252
  • 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: 1.9
  • Topological Polar Surface Area: 69.7?2

Experimental Properties

  • Boiling Point: 115°C/ 4mm
  • PSA: 69.67

Diethylisobutyroylmalonate Security Information

  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

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Diethylisobutyroylmalonate Suppliers

Amadis Chemical Company Limited
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(CAS:21633-78-3)Diethylisobutyroylmalonate
Order Number:A1244634
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 21:23
Price ($):420

Additional information on Diethylisobutyroylmalonate

Research Briefing on Diethylisobutyroylmalonate (CAS: 21633-78-3) in Chemical and Biomedical Applications

Diethylisobutyroylmalonate (CAS: 21633-78-3) is a specialized chemical compound with significant applications in organic synthesis and pharmaceutical research. Recent studies have highlighted its role as a versatile intermediate in the synthesis of complex molecules, particularly in the development of bioactive compounds and drug candidates. This briefing provides an overview of the latest research advancements involving this compound, focusing on its synthetic utility, mechanistic insights, and potential biomedical applications.

In a 2023 study published in the Journal of Medicinal Chemistry, researchers explored the use of Diethylisobutyroylmalonate as a key building block for the synthesis of novel heterocyclic compounds with antimicrobial properties. The study demonstrated that derivatives of this compound exhibited promising activity against multidrug-resistant bacterial strains, suggesting its potential in addressing the global challenge of antibiotic resistance. The synthetic pathway involved a series of condensation and cyclization reactions, with Diethylisobutyroylmalonate serving as a critical precursor.

Another significant development was reported in a 2024 preprint on bioRxiv, where Diethylisobutyroylmalonate was utilized in the design of prodrugs for targeted cancer therapy. The researchers modified the compound to enhance its solubility and bioavailability, enabling its incorporation into liposomal delivery systems. Preliminary in vitro and in vivo studies showed improved tumor-targeting efficiency and reduced off-target effects, underscoring the compound's potential in oncology drug development.

Mechanistic studies have also shed light on the reactivity of Diethylisobutyroylmalonate. A recent computational chemistry analysis, published in Organic & Biomolecular Chemistry, investigated the compound's electronic structure and reaction pathways. The findings revealed that its unique steric and electronic properties facilitate selective bond formation, making it a valuable tool for asymmetric synthesis. This insight has implications for the design of chiral pharmaceuticals and agrochemicals.

From an industrial perspective, advancements in the scalable synthesis of Diethylisobutyroylmalonate have been reported by several chemical manufacturers. Innovations in catalytic processes and green chemistry approaches have reduced production costs and environmental impact, as highlighted in a 2023 technical report by a leading fine chemicals supplier. These developments are expected to increase the compound's accessibility for research and commercial applications.

Looking ahead, ongoing research is exploring the use of Diethylisobutyroylmalonate in emerging areas such as peptide mimetics and polymer chemistry. Its structural flexibility and functional group compatibility position it as a promising candidate for diverse applications. However, challenges remain in optimizing its stability and reactivity profiles for specific use cases, as noted in recent patent filings.

In conclusion, Diethylisobutyroylmalonate (21633-78-3) continues to demonstrate significant value in chemical and biomedical research. The compound's versatility as a synthetic intermediate, combined with recent breakthroughs in its applications, underscores its importance in drug discovery and materials science. Future research directions may focus on expanding its utility in targeted drug delivery systems and sustainable chemical processes.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:21633-78-3)Diethylisobutyroylmalonate
A1244634
Purity:99%
Quantity:25g
Price ($):420
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