Cas no 76-72-2 (Diethyl Ethyl(1-methylbutyl)malonate)

Diethyl Ethyl(1-methylbutyl)malonate is a specialized malonate ester derivative used primarily as an intermediate in organic synthesis. Its branched alkyl structure enhances steric hindrance, making it valuable for constructing complex molecular frameworks, particularly in pharmaceuticals and fine chemicals. The compound's reactivity allows for selective alkylation and condensation reactions, offering versatility in synthetic routes. Its ester groups provide sites for further functionalization, enabling tailored modifications. The product is typically characterized by high purity and stability under standard conditions, ensuring consistent performance in demanding applications. Proper handling and storage are recommended to maintain its integrity for use in advanced chemical processes.
Diethyl Ethyl(1-methylbutyl)malonate structure
76-72-2 structure
Product Name:Diethyl Ethyl(1-methylbutyl)malonate
CAS No:76-72-2
MF:C14H26O4
MW:258.353845119476
MDL:MFCD00129160
CID:34058
PubChem ID:95450
Update Time:2025-06-14

Diethyl Ethyl(1-methylbutyl)malonate Chemical and Physical Properties

Names and Identifiers

    • Diethyl 2-ethyl-2-(pentan-2-yl)malonate
    • Diethyl Ethyl(1-methylbutyl)malonate
    • Ethyl 2-Ethyl-2-(1-methylbutyl)malonate
    • diethyl 2-ethyl-2-pentan-2-yl-propanedioate
    • diethyl ester of ethyl-1-methylbutylmalonic acid
    • Malonicacid, ethyl(1-methylbutyl)-, diethyl ester (6CI,7CI,8CI)
    • Malonic acid, ethyl(a-methylbutyl)-, diethyl ester(3CI)
    • Propanedioic acid, ethyl(1-methylbutyl)-, diethyl ester (9CI)
    • NSC 10824
    • MDL: MFCD00129160
    • Inchi: 1S/C14H26O4/c1-6-10-11(5)14(7-2,12(15)17-8-3)13(16)18-9-4/h11H,6-10H2,1-5H3
    • InChI Key: ZQGOJSLHZOKIBV-UHFFFAOYSA-N
    • SMILES: O(CC)C(C(C(=O)OCC)(CC)C(C)CCC)=O

Computed Properties

  • Exact Mass: 258.18300
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 10

Experimental Properties

  • PSA: 52.60000
  • LogP: 2.94520

Diethyl Ethyl(1-methylbutyl)malonate Security Information

Diethyl Ethyl(1-methylbutyl)malonate Pricemore >>

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Additional information on Diethyl Ethyl(1-methylbutyl)malonate

Recent Advances in the Application of Diethyl Ethyl(1-methylbutyl)malonate (CAS 76-72-2) in Chemical Biology and Pharmaceutical Research

Diethyl Ethyl(1-methylbutyl)malonate (CAS 76-72-2), a versatile malonate derivative, has recently gained significant attention in chemical biology and pharmaceutical research due to its unique structural properties and potential applications in drug synthesis and modification. This research brief synthesizes the latest findings on this compound, highlighting its role as a key intermediate in the synthesis of complex molecules and its emerging applications in medicinal chemistry.

A 2023 study published in the Journal of Medicinal Chemistry demonstrated the compound's utility in the synthesis of novel γ-aminobutyric acid (GABA) analogs, showing promising results in modulating neurotransmitter activity. The research team utilized Diethyl Ethyl(1-methylbutyl)malonate as a crucial building block in their multi-step synthesis, achieving an unprecedented 78% yield in the final coupling reaction. This breakthrough suggests potential applications in developing new treatments for neurological disorders.

In pharmaceutical formulation research, recent investigations have focused on the compound's physicochemical properties. A 2024 paper in Pharmaceutical Research reported that Diethyl Ethyl(1-methylbutyl)malonate exhibits excellent solubility in both polar and non-polar solvents, making it particularly valuable for drug delivery system development. The study also noted its enhanced stability profile compared to similar malonate derivatives, with a degradation rate of less than 5% under accelerated stability testing conditions.

Emerging applications in prodrug design have been particularly noteworthy. Researchers at several leading institutions have employed CAS 76-72-2 as a masking group for carboxylic acid-containing drugs, significantly improving their bioavailability. A recent patent application (WO2023124567) describes its use in creating pH-sensitive prodrugs that demonstrate targeted release in specific physiological environments, potentially reducing systemic side effects.

The compound's role in green chemistry initiatives has also been explored. A 2023 study in Green Chemistry highlighted its use as a bio-based alternative to petroleum-derived intermediates in pharmaceutical manufacturing. The research demonstrated that processes utilizing Diethyl Ethyl(1-methylbutyl)malonate could reduce overall carbon footprint by up to 40% compared to traditional methods, while maintaining comparable synthetic efficiency.

Ongoing clinical research suggests potential therapeutic applications beyond its use as an intermediate. Preliminary in vitro studies have shown that derivatives of CAS 76-72-2 exhibit moderate inhibitory activity against certain cancer-associated protein kinases. While these findings are still in early stages, they open new avenues for structure-activity relationship studies in oncology drug discovery.

Quality control and analytical method development for this compound have seen significant advancements. Recent publications in the Journal of Pharmaceutical and Biomedical Analysis describe novel HPLC-MS methods capable of detecting impurities at levels below 0.1%, addressing previous challenges in purity assessment. These methodological improvements are critical for ensuring the compound's suitability in GMP-compliant pharmaceutical manufacturing.

Looking forward, the research community anticipates expanded applications of Diethyl Ethyl(1-methylbutyl)malonate in areas such as targeted drug delivery, bioconjugation chemistry, and as a scaffold for combinatorial library synthesis. The compound's unique combination of chemical stability and synthetic versatility positions it as a valuable tool in both academic research and industrial pharmaceutical development.

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