Cas no 40235-67-4 (Diethyl thiazole-2,4-dicarboxylate)

Diethyl thiazole-2,4-dicarboxylate is a versatile organic compound featuring a thiazole core with ester-functionalized carboxyl groups at the 2- and 4-positions. This structure makes it a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly for heterocyclic compounds. Its ester groups enhance reactivity, facilitating further derivatization, while the thiazole ring contributes to its utility in biologically active molecules. The compound exhibits good stability under standard conditions, ensuring ease of handling and storage. Its synthetic flexibility and compatibility with various reaction conditions make it a preferred choice for researchers developing novel thiazole-based derivatives. Applications include use in medicinal chemistry for drug discovery and in material science for functionalized heterocycles.
Diethyl thiazole-2,4-dicarboxylate structure
40235-67-4 structure
Product Name:Diethyl thiazole-2,4-dicarboxylate
CAS No:40235-67-4
MF:C9H11NO4S
MW:229.25294137001
CID:1092249
PubChem ID:19744416
Update Time:2025-11-02

Diethyl thiazole-2,4-dicarboxylate Chemical and Physical Properties

Names and Identifiers

    • Diethyl thiazole-2,4-dicarboxylate
    • diethyl 1,3-thiazole-2,4-dicarboxylate
    • 40235-67-4
    • SCHEMBL9454202
    • G62306
    • Diethylthiazole-2,4-dicarboxylate
    • YLPCMNAQUJVVLD-UHFFFAOYSA-N
    • 1,7-DI-TERT-BUTYL 4-[3-(TERT-BUTOXY)-3-OXOPROPYL]-8-NITROHEPTANEDIOATE
    • DTXSID801286312
    • 2,4-Diethyl 2,4-thiazoledicarboxylate
    • DB-141663
    • 2,4-DIETHYL 1,3-THIAZOLE-2,4-DICARBOXYLATE
    • Inchi: 1S/C9H11NO4S/c1-3-13-8(11)6-5-15-7(10-6)9(12)14-4-2/h5H,3-4H2,1-2H3
    • InChI Key: YLPCMNAQUJVVLD-UHFFFAOYSA-N
    • SMILES: S1C=C(C(=O)OCC)N=C1C(=O)OCC

Computed Properties

  • Exact Mass: 229.04087901g/mol
  • Monoisotopic Mass: 229.04087901g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 6
  • Complexity: 246
  • 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: 2.1
  • Topological Polar Surface Area: 93.7?2

Diethyl thiazole-2,4-dicarboxylate Pricemore >>

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Additional information on Diethyl thiazole-2,4-dicarboxylate

Exploring Diethyl Thiazole-2,4-Dicarboxylate (CAS No. 40235-67-4): Properties, Applications, and Market Insights

Diethyl thiazole-2,4-dicarboxylate (CAS No. 40235-67-4) is a specialized organic compound with a growing presence in pharmaceutical and agrochemical research. As a thiazole derivative, this ester exhibits unique chemical properties that make it valuable for synthesizing bioactive molecules. The compound's molecular structure combines a thiazole ring with two ester functional groups, offering versatile reactivity for various synthetic applications.

Recent scientific literature highlights the increasing importance of thiazole-based compounds in drug discovery, particularly for their antimicrobial and anti-inflammatory properties. Researchers are actively investigating diethyl thiazole-2,4-dicarboxylate as a potential building block for novel therapeutic agents. The compound's stability and solubility characteristics make it particularly attractive for medicinal chemistry applications.

In the agrochemical sector, diethyl thiazole-2,4-dicarboxylate derivatives are being explored for their potential as plant growth regulators and environmentally friendly pesticides. The compound's structural features allow for modifications that can target specific biological pathways in plants while maintaining low toxicity profiles. This aligns with current market demands for sustainable agricultural solutions.

The synthesis of CAS 40235-67-4 typically involves esterification reactions of thiazole-2,4-dicarboxylic acid, with careful control of reaction conditions to ensure high purity. Analytical techniques such as HPLC and NMR spectroscopy are commonly employed to verify the identity and purity of the final product. These quality control measures are critical for research applications where compound consistency is paramount.

From a commercial perspective, the global market for thiazole derivatives is experiencing steady growth, driven by pharmaceutical innovation and agricultural advancements. Suppliers of diethyl thiazole-2,4-dicarboxylate are expanding their production capacities to meet rising demand from research institutions and specialty chemical manufacturers. Pricing trends indicate moderate stability, with fluctuations primarily tied to raw material availability.

Storage and handling of diethyl thiazole-2,4-dicarboxylate require standard laboratory precautions. The compound should be kept in tightly sealed containers under inert atmosphere when long-term storage is needed. While not classified as highly hazardous, proper ventilation and personal protective equipment are recommended during laboratory use, consistent with general chemical safety protocols.

Current research trends suggest expanding applications for thiazole-2,4-dicarboxylate esters in material science, particularly in the development of specialty polymers and electronic materials. The compound's ability to participate in various coupling reactions makes it a candidate for creating novel functional materials with tailored properties. This represents an emerging area of interest beyond traditional pharmaceutical applications.

For researchers sourcing diethyl thiazole-2,4-dicarboxylate, several technical parameters are typically specified: purity grade (usually ≥95% by HPLC), physical appearance (typically white to off-white crystalline powder), and solubility characteristics (soluble in common organic solvents like ethanol and DMSO). These specifications ensure the compound meets the requirements for various synthetic applications.

The environmental profile of CAS 40235-67-4 is currently under study, with preliminary data suggesting moderate biodegradability under certain conditions. As with many specialty chemicals, proper disposal methods should follow local regulations and institutional guidelines. The development of greener synthetic routes for this compound remains an active area of process chemistry research.

Looking ahead, the scientific community anticipates continued interest in thiazole derivative chemistry, with diethyl thiazole-2,4-dicarboxylate playing a significant role as a versatile synthetic intermediate. Its applications in fragment-based drug discovery and combinatorial chemistry approaches are particularly promising, offering researchers a valuable tool for developing new molecular entities with potential therapeutic benefits.

In analytical applications, diethyl thiazole-2,4-dicarboxylate serves as a useful reference standard for method development in chromatography and spectroscopy. Its well-defined spectral characteristics make it suitable for calibrating instruments and validating analytical procedures in quality control laboratories.

The intellectual property landscape surrounding thiazole-based compounds continues to evolve, with numerous patents filed for novel derivatives and applications. While diethyl thiazole-2,4-dicarboxylate itself is not patent-protected, many of its derivatives feature in proprietary formulations, highlighting the compound's importance as a synthetic building block.

For laboratories considering working with diethyl thiazole-2,4-dicarboxylate, several commercial suppliers offer the compound in various quantities, from gram-scale for research purposes to kilogram quantities for process development. Technical support and custom synthesis options are often available for specialized requirements, facilitating its adoption in diverse research programs.

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