Cas no 3594-36-3 (1,3-bis(4-methylphenyl)propane-1,3-dione)

1,3-Bis(4-methylphenyl)propane-1,3-dione is a β-diketone compound characterized by its symmetrical aromatic structure, featuring two 4-methylphenyl groups attached to a central propane-1,3-dione backbone. This compound is notable for its chelating properties, making it useful in coordination chemistry for forming stable metal complexes. Its rigid aromatic framework enhances thermal stability, while the methyl substituents improve solubility in organic solvents. These attributes render it valuable as a ligand in catalytic systems or as an intermediate in organic synthesis. The compound’s well-defined structure also facilitates precise modifications for tailored applications in materials science or pharmaceuticals.
1,3-bis(4-methylphenyl)propane-1,3-dione structure
3594-36-3 structure
Product Name:1,3-bis(4-methylphenyl)propane-1,3-dione
CAS No:3594-36-3
MF:C17H16O2
MW:252.307744979858
CID:309373
PubChem ID:145701
Update Time:2025-05-19

1,3-bis(4-methylphenyl)propane-1,3-dione Chemical and Physical Properties

Names and Identifiers

    • 1,3-Propanedione,1,3-bis(4-methylphenyl)-
    • 1,3-bis(4-methylphenyl)propane-1,3-dione
    • 1,3-Bis(4-methylphenyl)-1,3-propanedione
    • 1,3-Di-(4-methylphenyl)-1,3-propanedione
    • CS-0233540
    • EN300-134314
    • 1,3-Propanedione, 1,3-bis(4-methylphenyl)-
    • 1,3-Bis(4-methylphenyl)-1,3-propanedione #
    • XKFZOWRFWMXGQG-UHFFFAOYSA-N
    • 1,3-Dip-tolylpropane-1,3-dione
    • SCHEMBL600578
    • AK-249/36559016
    • 4,4'-dimethyldibenzoylmethane
    • AKOS005167248
    • AB01329759-02
    • 3594-36-3
    • NCGC00336855-01
    • 1,3-Di-p-tolyl-propane-1,3-dione
    • 1,3-Di-p-tolylpropane-1,3-dione
    • DTXSID60189502
    • MDL: MFCD00227715
    • Inchi: 1S/C17H16O2/c1-12-3-7-14(8-4-12)16(18)11-17(19)15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3
    • InChI Key: XKFZOWRFWMXGQG-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC(C)=CC=1)CC(C1C=CC(C)=CC=1)=O

Computed Properties

  • Exact Mass: 252.11508
  • Monoisotopic Mass: 252.115
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 286
  • 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: 3.8
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • Density: 1.099
  • Boiling Point: 425.3°C at 760 mmHg
  • Flash Point: 159°C
  • Refractive Index: 1.572
  • PSA: 34.14

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1,3-bis(4-methylphenyl)propane-1,3-dione Suppliers

Amadis Chemical Company Limited
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(CAS:3594-36-3)1,3-bis(4-methylphenyl)propane-1,3-dione
Order Number:A1243052
Stock Status:in Stock
Quantity:10g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 19:28
Price ($):2462

1,3-bis(4-methylphenyl)propane-1,3-dione Related Literature

Additional information on 1,3-bis(4-methylphenyl)propane-1,3-dione

Professional Introduction to 1,3-bis(4-methylphenyl)propane-1,3-dione (CAS No. 3594-36-3)

1,3-bis(4-methylphenyl)propane-1,3-dione, with the chemical formula C14H14O2, is a significant compound in the field of organic chemistry and pharmaceutical research. This molecule, identified by its CAS number 3594-36-3, has garnered attention due to its unique structural properties and potential applications in various scientific domains.

The compound is characterized by a symmetric structure consisting of a propane backbone with two acetyl groups attached to the 1 and 3 positions, each linked to a 4-methylphenyl group. This arrangement imparts distinct electronic and steric properties, making it a valuable candidate for further investigation in synthetic chemistry and material science.

In recent years, research on 1,3-bis(4-methylphenyl)propane-1,3-dione has expanded significantly, particularly in the context of its role as an intermediate in the synthesis of more complex molecules. Its dual functionality allows for diverse chemical transformations, including condensation reactions, cross-coupling processes, and polymerization reactions. These attributes have positioned it as a key building block in the development of novel materials and pharmaceuticals.

One of the most intriguing aspects of this compound is its potential application in medicinal chemistry. Studies have begun to explore its derivatives as candidates for various therapeutic applications. The presence of aromatic rings and acetyl groups suggests that it may exhibit properties such as anti-inflammatory or antioxidant effects. While preliminary studies are promising, further research is necessary to fully understand its pharmacological profile.

The synthesis of 1,3-bis(4-methylphenyl)propane-1,3-dione has also seen advancements in methodology. Modern synthetic techniques have enabled more efficient and scalable production processes, reducing costs and improving yields. These improvements are crucial for facilitating further research and commercialization efforts.

In the realm of material science, this compound has shown potential as a precursor for high-performance polymers. Its rigid structure and multiple reactive sites make it an excellent candidate for creating materials with enhanced thermal stability and mechanical strength. Researchers are particularly interested in developing novel polymers that could find applications in aerospace, automotive industries, and electronics.

The electronic properties of 1,3-bis(4-methylphenyl)propane-1,3-dione also make it relevant in the field of organic electronics. Its aromatic system can be tailored to influence charge transport properties, making it a candidate for use in organic light-emitting diodes (OLEDs), organic photovoltaics (OPVs), and other electronic devices. The ability to fine-tune these properties through structural modifications offers exciting possibilities for innovation.

Eco-friendly considerations have also influenced the research direction regarding this compound. Efforts are being made to develop greener synthetic routes that minimize waste and reduce environmental impact. These sustainable practices are essential for ensuring that the production of such valuable compounds aligns with global environmental standards.

The future prospects for 1,3-bis(4-methylphenyl)propane-1,3-dione appear bright, with ongoing studies exploring its potential across multiple disciplines. As our understanding of its properties grows, so too will its applications in pharmaceuticals, materials science, and electronics. The continued investment in research is likely to yield groundbreaking advancements that could revolutionize various industries.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:3594-36-3)1,3-bis(4-methylphenyl)propane-1,3-dione
A1243052
Purity:99%
Quantity:10g
Price ($):2462
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