Cas no 16619-29-7 ((2E)-3-(3-Methylphenyl)-1-phenylprop-2-en-1-one)

(2E)-3-(3-Methylphenyl)-1-phenylprop-2-en-1-one is a chalcone derivative characterized by its α,β-unsaturated ketone structure. This compound exhibits notable reactivity due to the conjugated double bond system, making it valuable in organic synthesis, particularly in Michael additions and cyclization reactions. Its aromatic substituents enhance stability while allowing for further functionalization, making it a versatile intermediate in pharmaceuticals and materials science. The presence of the 3-methylphenyl group may influence electronic and steric properties, potentially improving selectivity in catalytic processes. High purity grades ensure consistent performance in research and industrial applications, including the development of bioactive molecules and advanced polymers.
(2E)-3-(3-Methylphenyl)-1-phenylprop-2-en-1-one structure
16619-29-7 structure
Product Name:(2E)-3-(3-Methylphenyl)-1-phenylprop-2-en-1-one
CAS No:16619-29-7
MF:C16H14O
MW:222.281764507294
CID:209765
PubChem ID:6162622
Update Time:2025-05-19

(2E)-3-(3-Methylphenyl)-1-phenylprop-2-en-1-one Chemical and Physical Properties

Names and Identifiers

    • 2-Propen-1-one,3-(3-methylphenyl)-1-phenyl-
    • (2E)-3-(3-METHYLPHENYL)-1-PHENYLPROP-2-EN-1-ONE
    • (Z)-3-(3-methylphenyl)-1-phenylprop-2-en-1-one
    • 3-(3-methylphenyl)-1-phenyl-prop-2-en-1-one
    • 1-phenyl-3-m-tolylpropenone
    • 3-methyl-chalcone
    • 3-Methyl-chalkon
    • phenyl m-methylstyryl ketone
    • Phenyl-(3-methyl-styryl)-keton
    • MFCD00025968
    • (E)-1-phenyl-3-m-tolylprop-2-en-1-one
    • BDBM50440655
    • TRANS-3-METHYLCHALCONE
    • AKOS008685143
    • 2-Propen-1-one, 3-(3-methylphenyl)-1-phenyl-
    • (E)-3-(3-methylphenyl)-1-phenylprop-2-en-1-one
    • 1-Phenyl-3-(m-tolyl)prop-2-en-1-one
    • SS-4629
    • CHEMBL2430043
    • trans-3-METHYL CHALCONE
    • 16619-29-7
    • 22966-04-7
    • (2E)-3-(3-Methylphenyl)-1-phenylprop-2-en-1-one
    • MDL: T167773
    • Inchi: 1S/C16H14O/c1-13-6-5-7-14(12-13)10-11-16(17)15-8-3-2-4-9-15/h2-12H,1H3/b11-10+
    • InChI Key: VQLMDARIPJTTAH-ZHACJKMWSA-N
    • SMILES: O=C(/C=C/C1=CC=CC(C)=C1)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 222.10452
  • Monoisotopic Mass: 222.104
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 273
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.4
  • Topological Polar Surface Area: 17.1A^2

Experimental Properties

  • Density: 1.078
  • Melting Point: 66 °C
  • Boiling Point: 361.8°Cat760mmHg
  • Flash Point: 156.8°C
  • Refractive Index: 1.615
  • PSA: 17.07
  • LogP: 3.89110

(2E)-3-(3-Methylphenyl)-1-phenylprop-2-en-1-one Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
E521570-10mg
(2E)-3-(3-Methylphenyl)-1-phenylprop-2-en-1-one
16619-29-7
10mg
$ 50.00 2022-06-05
TRC
E521570-50mg
(2E)-3-(3-Methylphenyl)-1-phenylprop-2-en-1-one
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E521570-100mg
(2E)-3-(3-Methylphenyl)-1-phenylprop-2-en-1-one
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$ 80.00 2022-06-05
Apollo Scientific
OR303310-500mg
(2E)-3-(3-Methylphenyl)-1-phenylprop-2-en-1-one
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£77.00 2025-02-19
Apollo Scientific
OR303310-1g
(2E)-3-(3-Methylphenyl)-1-phenylprop-2-en-1-one
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£124.00 2025-02-19
Apollo Scientific
OR303310-5g
(2E)-3-(3-Methylphenyl)-1-phenylprop-2-en-1-one
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£370.00 2025-02-19
Key Organics Ltd
SS-4629-1MG
(2E)-3-(3-methylphenyl)-1-phenylprop-2-en-1-one
16619-29-7 >97%
1mg
£37.00 2025-02-08
Key Organics Ltd
SS-4629-5MG
(2E)-3-(3-methylphenyl)-1-phenylprop-2-en-1-one
16619-29-7 >97%
5mg
£46.00 2025-02-08
Key Organics Ltd
SS-4629-10MG
(2E)-3-(3-methylphenyl)-1-phenylprop-2-en-1-one
16619-29-7 >97%
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£63.00 2025-02-08
Key Organics Ltd
SS-4629-20MG
(2E)-3-(3-methylphenyl)-1-phenylprop-2-en-1-one
16619-29-7 >97%
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£76.00 2023-04-18

Additional information on (2E)-3-(3-Methylphenyl)-1-phenylprop-2-en-1-one

Chemical Profile of (2E)-3-(3-Methylphenyl)-1-phenylprop-2-en-1-one (CAS No. 16619-29-7)

(2E)-3-(3-Methylphenyl)-1-phenylprop-2-en-1-one is a complex organic compound with significant applications in the field of pharmaceutical chemistry and synthetic biology. This molecule, identified by its Chemical Abstracts Service (CAS) number CAS No. 16619-29-7, has garnered attention due to its unique structural properties and potential biological activities. The compound features a conjugated system consisting of an α,β-unsaturated carbonyl group and aromatic rings, which contribute to its reactivity and interaction with biological targets.

The molecular structure of (2E)-3-(3-Methylphenyl)-1-phenylprop-2-en-1-one can be described as a phenyl-substituted propenone derivative. The presence of two phenyl rings at the 3-position and 1-position, respectively, enhances its electronic delocalization and influences its spectroscopic properties. This conjugation is particularly interesting in the context of drug design, as it allows for tunable electronic and steric interactions with biological receptors.

Recent advancements in computational chemistry have enabled more precise predictions of the biological activity of such compounds. Studies have indicated that molecules with similar structural motifs may exhibit properties relevant to neurological disorders, inflammation, and metabolic pathways. The specific arrangement of substituents in (2E)-3-(3-Methylphenyl)-1-phenylprop-2-en-1-one suggests potential interactions with enzymes and receptors involved in these pathways.

In the realm of synthetic methodologies, the preparation of (2E)-3-(3-Methylphenyl)-1-phenylprop-2-en-1-one involves multi-step organic synthesis, often requiring careful control of reaction conditions to achieve high yields and purity. Techniques such as palladium-catalyzed cross-coupling reactions have been employed to construct the aromatic ring systems efficiently. The synthesis also benefits from modern techniques like flow chemistry, which improve scalability and reproducibility.

The pharmacological profile of this compound is still under investigation, but preliminary studies suggest that it may possess bioactivity relevant to therapeutic applications. For instance, its structural similarity to known pharmacophores has prompted research into its potential as a scaffold for novel drug candidates. The ability to modify specific functional groups while maintaining the core conjugated system offers a versatile platform for medicinal chemists.

From a spectroscopic perspective, (2E)-3-(3-Methylphenyl)-1-phenylprop-2-en-1-one exhibits distinct UV-Vis absorption characteristics due to its extended π-system. Nuclear Magnetic Resonance (NMR) spectroscopy reveals detailed information about the electronic environment of different protons and carbons within the molecule. These data are crucial for confirming the structural integrity of synthesized compounds and for understanding their interactions at a molecular level.

The compound's thermal stability and solubility profile are also important considerations in its potential applications. High-performance liquid chromatography (HPLC) and gas chromatography-mass spectrometry (GC-MS) are commonly used techniques for analyzing its purity and detecting degradation products. These analytical methods ensure that the compound meets the stringent requirements for further biological testing or industrial use.

In conclusion, (2E)-3-(3-Methylphenyl)-1-phenylprop-2-en-1-one (CAS No. 16619-29-7) represents a fascinating subject of study in chemical biology and pharmaceutical development. Its unique structural features, combined with emerging computational tools and synthetic techniques, position it as a valuable candidate for further exploration. As research continues to uncover new applications for this molecule, it is likely to play an increasingly important role in advancing our understanding of biological systems and developing innovative therapeutic strategies.

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