Cas no 72324-39-1 (5-Acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione)

5-Acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione is a cyclic diketone derivative with the molecular formula C9H12O5. This compound features a 1,3-dioxane ring substituted with acetyl and dimethyl groups, along with two carbonyl functionalities at the 4 and 6 positions. It serves as a versatile intermediate in organic synthesis, particularly in the preparation of heterocyclic compounds and as a precursor for pharmaceuticals and agrochemicals. The acetyl group enhances its reactivity, enabling selective modifications, while the rigid dioxane framework contributes to stability. Its high purity and well-defined structure make it suitable for research applications requiring precise molecular control. The compound is typically characterized by NMR, IR, and mass spectrometry for verification.
5-Acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione structure
72324-39-1 structure
Product Name:5-Acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione
CAS No:72324-39-1
MF:C8H10O5
MW:186.162003040314
MDL:MFCD03425724
CID:579981
PubChem ID:2763470
Update Time:2025-11-01

5-Acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione Chemical and Physical Properties

Names and Identifiers

    • 5-Acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione
    • 1,3-Dioxane-4,6-dione,5-acetyl-2,2-dimethyl-
    • 5-acetyl-2,2-dimethyl-[1,3]dioxane-4,6-dione
    • 2,2-dimethyl-4,6-dioxo-5-acetyl-1,3-dioxane
    • 5-acetyl-2,2-dimethyl-4,6-dioxo-1,3-dioxane
    • 5-acetyl-Meldrum's acid
    • acetyl Meldrum's acid
    • acetyldimethyldioxanedione
    • meldrums acid
    • MFCD03425724
    • SCHEMBL1012423
    • 72324-39-1
    • FT-0680112
    • E86959
    • J-516617
    • AKOS005069678
    • 1,3-Dioxane-4,6-dione, 5-acetyl-2,2-dimethyl-
    • DTXSID00376974
    • CS-0455221
    • BTJDMDJIAAHSRG-UHFFFAOYSA-N
    • 1D-012
    • AO-833/41044538
    • DTXCID30328002
    • MDL: MFCD03425724
    • Inchi: 1S/C8H10O5/c1-4(9)5-6(10)12-8(2,3)13-7(5)11/h5H,1-3H3
    • InChI Key: BTJDMDJIAAHSRG-UHFFFAOYSA-N
    • SMILES: O1C(C(C(C)=O)C(=O)OC1(C)C)=O

Computed Properties

  • Exact Mass: 186.05300
  • Monoisotopic Mass: 186.05282342g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 258
  • 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: 0.6
  • Topological Polar Surface Area: 69.7?2

Experimental Properties

  • Density: 1.231
  • Melting Point: 83-84 oC(dec.)
  • Boiling Point: 417.9°C at 760 mmHg
  • Flash Point: 192.5°C
  • Refractive Index: 1.447
  • PSA: 69.67000
  • LogP: 0.02770

5-Acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione Security Information

  • Hazardous Material transportation number:UN 1224
  • Hazard Category Code: 10
  • Safety Instruction: S16
  • Risk Phrases:R10
  • HazardClass:IRRITANT

5-Acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione Pricemore >>

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Additional information on 5-Acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione

Comprehensive Analysis of 5-Acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS No. 72324-39-1)

5-Acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS No. 72324-39-1) is a specialized organic compound with a unique molecular structure that combines acetyl and dioxane functionalities. This compound has garnered significant attention in the fields of organic synthesis, pharmaceutical intermediates, and material science. Its versatility and reactivity make it a valuable building block for researchers and industries alike. In this article, we delve into its properties, applications, and the latest trends surrounding its use.

The molecular formula of 5-Acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione is C8H10O5, featuring a dioxane ring with acetyl and dimethyl substitutions. This structure imparts unique chemical properties, such as high reactivity in condensation reactions and stability under controlled conditions. Researchers often explore its role in synthesizing heterocyclic compounds, which are pivotal in drug development and agrochemicals. The compound's CAS No. 72324-39-1 serves as a critical identifier in chemical databases, ensuring accurate referencing in scientific literature.

One of the most searched questions about 5-Acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione revolves around its applications in green chemistry. With growing environmental concerns, scientists are keen on developing sustainable synthetic routes. This compound's ability to participate in catalytic reactions with minimal waste aligns with the principles of atom economy and reduced carbon footprint. Recent studies highlight its potential in biodegradable polymer synthesis, a hot topic in material science.

Another trending topic is the use of 5-Acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione in flavor and fragrance industries. Its acetyl group contributes to the formation of esters, which are key components in perfumes and food additives. The compound's low toxicity profile and high purity make it suitable for these applications, addressing consumer demand for safer ingredients. Searches for "natural flavor enhancers" and "sustainable fragrances" often lead to discussions involving this compound.

In the pharmaceutical sector, CAS No. 72324-39-1 is frequently explored for its role in drug intermediate synthesis. Its reactive sites allow for the construction of complex molecules, such as antibiotics and anti-inflammatory agents. With the rise of personalized medicine, researchers are investigating how this compound can be tailored to produce targeted therapeutics. This aligns with the increasing search trends for "next-generation drug synthesis" and "precision medicine chemicals."

The compound's thermal stability and solubility properties are also subjects of interest. Laboratories often seek data on its behavior in various solvents, as this impacts its usability in industrial-scale reactions. Questions like "How to optimize 5-Acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione reactions?" or "Best solvents for CAS 72324-39-1" are common in academic and industrial forums.

Looking ahead, the demand for 5-Acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione is expected to grow, driven by advancements in biotechnology and nanomaterials. Its compatibility with enzyme-catalyzed processes opens doors for innovative applications in bioengineering. As the scientific community continues to uncover its potential, this compound remains a cornerstone in modern chemistry.

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