Cas no 142472-16-0 (1,3-bis(3,4-dimethylphenyl)propane-1,3-dione)

1,3-Bis(3,4-dimethylphenyl)propane-1,3-dione is a diketone compound featuring two 3,4-dimethylphenyl substituents attached to a central propane-1,3-dione core. This structure imparts unique electronic and steric properties, making it useful in coordination chemistry and as a precursor for synthesizing heterocyclic compounds. The presence of methyl groups at the 3,4-positions enhances its stability and influences its reactivity in organic transformations. Its rigid aromatic framework and diketone functionality allow for applications in ligand design, particularly in metal-organic frameworks (MOFs) or catalysis. The compound’s well-defined molecular architecture also makes it suitable for studies in photophysical or materials science research.
1,3-bis(3,4-dimethylphenyl)propane-1,3-dione structure
142472-16-0 structure
Product Name:1,3-bis(3,4-dimethylphenyl)propane-1,3-dione
CAS No:142472-16-0
MF:C19H20O2
MW:280.360905647278
MDL:MFCD08553221
CID:201849
PubChem ID:15664666
Update Time:2025-08-03

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

Names and Identifiers

    • 1,3-Propanedione,1,3-bis(3,4-dimethylphenyl)-
    • 1,3-bis(3,4-dimethylphenyl)propane-1,3-dione
    • 142472-16-0
    • 1,3-BIS(3,4-DIMETHYLPHENYL)-1,3-PROPANEDIONE
    • 1,3-Di-(3,4-dimethylphenyl)-1,3-propanedione
    • SCHEMBL13622409
    • NCGC00319541-01
    • AKOS000311359
    • AB01316086-02
    • EN300-230076
    • MDL： MFCD08553221
    • Inchi： 1S/C19H20O2/c1-12-5-7-16(9-14(12)3)18(20)11-19(21)17-8-6-13(2)15(4)10-17/h5-10H,11H2,1-4H3
    • InChI Key： ZAUPZWRXIWDJMV-UHFFFAOYSA-N
    • SMILES： O=C(CC(C1C=CC(C)=C(C)C=1)=O)C1C=CC(C)=C(C)C=1

Computed Properties

  • Exact Mass: 280.146329876g/mol
  • Monoisotopic Mass: 280.146329876g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 4
  • Complexity: 351
  • 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: 4.6
  • Topological Polar Surface Area: 34.1?2

1,3-bis(3,4-dimethylphenyl)propane-1,3-dione Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-230076-0.05g
1,3-bis(3,4-dimethylphenyl)propane-1,3-dione
 142472-16-0 95%
0.05g
 $42.0 2024-06-20
Enamine
EN300-230076-0.1g
1,3-bis(3,4-dimethylphenyl)propane-1,3-dione
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Enamine
EN300-230076-0.25g
1,3-bis(3,4-dimethylphenyl)propane-1,3-dione
 142472-16-0 95%
0.25g
 $92.0 2024-06-20
Enamine
EN300-230076-0.5g
1,3-bis(3,4-dimethylphenyl)propane-1,3-dione
 142472-16-0 95%
0.5g
 $175.0 2024-06-20
Enamine
EN300-230076-1.0g
1,3-bis(3,4-dimethylphenyl)propane-1,3-dione
 142472-16-0 95%
1.0g
 $256.0 2024-06-20
Enamine
EN300-230076-2.5g
1,3-bis(3,4-dimethylphenyl)propane-1,3-dione
 142472-16-0 95%
2.5g
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Enamine
EN300-230076-5.0g
1,3-bis(3,4-dimethylphenyl)propane-1,3-dione
 142472-16-0 95%
5.0g
 $743.0 2024-06-20
Enamine
EN300-230076-10.0g
1,3-bis(3,4-dimethylphenyl)propane-1,3-dione
 142472-16-0 95%
10.0g
 $1101.0 2024-06-20
Enamine
EN300-230076-1g
1,3-bis(3,4-dimethylphenyl)propane-1,3-dione
 142472-16-0 95%
1g
 $256.0 2023-09-15
Enamine
EN300-230076-5g
1,3-bis(3,4-dimethylphenyl)propane-1,3-dione
 142472-16-0 95%
5g
 $743.0 2023-09-15

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