Cas no 51299-97-9 (2-Isobutyryldimedone)

2-Isobutyryldimedone is a specialized β-diketone derivative known for its utility as a versatile intermediate in organic synthesis. Its structure, featuring an isobutyryl substituent, enhances reactivity in condensation and cyclization reactions, making it valuable for constructing heterocyclic compounds. The compound exhibits excellent stability under standard conditions, ensuring reliable handling and storage. Its high purity and consistent performance are critical for applications in pharmaceutical research, agrochemical development, and material science. The ketone functionalities enable selective transformations, offering synthetic flexibility for fine chemical production. Its compatibility with various reagents and solvents further underscores its utility in complex multi-step syntheses.
2-Isobutyryldimedone structure
2-Isobutyryldimedone structure
Product Name:2-Isobutyryldimedone
CAS No:51299-97-9
MF:C12H18O3
MW:210.269524097443
CID:5227314
PubChem ID:13483310
Update Time:2026-03-07

2-Isobutyryldimedone Chemical and Physical Properties

Names and Identifiers

    • 1,3-Cyclohexanedione, 5,5-dimethyl-2-(2-methyl-1-oxopropyl)-
    • 2-Isobutyryldimedone
    • Inchi: 1S/C12H18O3/c1-7(2)11(15)10-8(13)5-12(3,4)6-9(10)14/h7,10H,5-6H2,1-4H3
    • InChI Key: LMAJWYLSIJKMLA-UHFFFAOYSA-N
    • SMILES: C1(=O)CC(C)(C)CC(=O)C1C(=O)C(C)C

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Additional information on 2-Isobutyryldimedone

Comprehensive Guide to 2-Isobutyryldimedone (CAS No. 51299-97-9): Properties, Applications, and Market Insights

2-Isobutyryldimedone (CAS No. 51299-97-9) is a specialized β-diketone derivative widely recognized for its unique chemical properties and versatility in organic synthesis. This compound, also known as isobutyryl dimedone, has gained significant attention in pharmaceutical and agrochemical research due to its role as a key intermediate. With the rise of green chemistry and sustainable synthesis trends, researchers are increasingly exploring eco-friendly applications of 2-isobutyryldimedone derivatives.

The molecular structure of 2-Isobutyryldimedone features a dimedone core substituted with an isobutyryl group, which enhances its reactivity in various chemical transformations. Recent studies highlight its importance in developing heterocyclic compounds, particularly in the synthesis of pharmaceutical intermediates. As the demand for custom synthesis services grows, this compound has become a focal point for many contract research organizations (CROs).

In analytical chemistry, 51299-97-9 serves as a valuable reference standard for HPLC and GC-MS applications. Its well-defined spectral characteristics make it ideal for method development and quality control in pharmaceutical analysis. The compound's stability under various conditions has prompted investigations into its potential as a chelating agent in metal-catalyzed reactions, aligning with current interests in catalysis research.

The global market for 2-Isobutyryldimedone reflects the compound's growing importance. Market analysts note increasing procurement from specialty chemical suppliers serving the life sciences sector. With pharmaceutical companies investing heavily in small molecule drug discovery, the demand for high-purity dimedone derivatives like 51299-97-9 continues to rise. Current pricing trends show premium valuations for research-grade 2-isobutyryldimedone with certificates of analysis.

Recent patent literature reveals innovative applications of 2-Isobutyryldimedone in material science, particularly in developing functional polymers with tailored properties. Its ability to form stable complexes has led to explorations in coordination chemistry, addressing contemporary challenges in molecular recognition systems. These developments position isobutyryl dimedone compounds at the forefront of interdisciplinary research.

Quality specifications for CAS 51299-97-9 typically require ≥98% purity, with stringent controls on residual solvents and heavy metal content. Leading manufacturers employ advanced purification techniques such as recrystallization and chromatography to meet the exacting standards of pharmaceutical customers. Storage recommendations emphasize protection from moisture and light to maintain the compound's stability over extended periods.

From a regulatory perspective, 2-Isobutyryldimedone is generally regarded as safe for research purposes when handled according to standard laboratory safety protocols. Its environmental profile has been evaluated under OECD guidelines, showing favorable biodegradability characteristics that align with modern green chemistry principles. These attributes contribute to its growing adoption in sustainable chemical processes.

Future research directions for 51299-97-9 include exploring its potential in medicinal chemistry as a scaffold for bioactive molecules. Computational chemistry studies are investigating its molecular docking properties, while synthetic chemists are developing novel cascade reactions utilizing its unique reactivity. These cutting-edge applications demonstrate the enduring relevance of isobutyryldimedone chemistry in modern science.

For researchers sourcing 2-Isobutyryldimedone, important considerations include supplier reliability, batch-to-batch consistency, and comprehensive analytical documentation. The compound's shelf life and storage conditions significantly impact its performance in sensitive applications, making these factors critical in purchasing decisions. Current market intelligence suggests growing preference for suppliers offering custom synthesis services for modified dimedone derivatives.

The scientific literature contains numerous references to 2-Isobutyryldimedone applications in peer-reviewed journals, particularly in studies involving complex molecule synthesis. Its role in constructing polycyclic systems has been highlighted in recent publications, reinforcing its value as a versatile building block. These academic findings complement industrial applications, creating a robust knowledge base for this important chemical intermediate.

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