Cas no 72846-62-9 (2-(4-isobutyrylphenyl)propane)

2-(4-Isobutyrylphenyl)propane is a specialized organic compound featuring an isobutyryl group attached to a phenyl ring, further substituted with a propyl moiety. This structure imparts unique reactivity and functional properties, making it valuable as an intermediate in fine chemical synthesis, particularly in pharmaceuticals and agrochemicals. Its isobutyryl group enhances steric and electronic effects, facilitating selective transformations in multi-step syntheses. The compound’s stability under standard conditions ensures consistent handling and storage. Its well-defined molecular architecture allows for precise modifications, supporting applications in ligand design or polymer precursors. Suitable for controlled reactions, it offers versatility in producing derivatives with tailored properties for advanced research and industrial processes.
2-(4-isobutyrylphenyl)propane structure
2-(4-isobutyrylphenyl)propane structure
Product Name:2-(4-isobutyrylphenyl)propane
CAS No:72846-62-9
MF:C13H18O
MW:190.281424045563
MDL:MFCD01095836
CID:977590
PubChem ID:4251244
Update Time:2025-05-21

2-(4-isobutyrylphenyl)propane Chemical and Physical Properties

Names and Identifiers

    • 2-(4-isobutyrylphenyl)propane
    • 1-(4-isopropylphenyl)-2-methylpropan-1-one
    • 2-methyl-1-(4-propan-2-ylphenyl)propan-1-one
    • 2-METHYL-1-[4-(1-METHYLETHYL)PHENYL]-1-PROPANONE
    • 2-Methyl-1-[4-(1-methylethyl)phenyl]-1-propanoneneat
    • 4-isopropylphenyl isopropyl ketone
    • p-Isopropylphenyl-isopropylketon
    • 72846-62-9
    • AKOS009164686
    • SCHEMBL195312
    • 1-(4-Isopropyl-phenyl)-2-methyl-propan-1-one
    • 4-Isopropylisobutyrophenon
    • 2-methyl-1-[4-(propan-2-yl)phenyl]propan-1-one
    • DTXSID80401233
    • KJOFMRLNOMBWIM-UHFFFAOYSA-N
    • 1-(4-isopropylphenyl)-2-methyl-1-propanone
    • CS-0357853
    • FT-0769926
    • 4'-iso-Propyl-2-methylpropiophenone
    • DA-20047
    • MDL: MFCD01095836
    • Inchi: 1S/C13H18O/c1-9(2)11-5-7-12(8-6-11)13(14)10(3)4/h5-10H,1-4H3
    • InChI Key: KJOFMRLNOMBWIM-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC(=CC=1)C(C)C)C(C)C

Computed Properties

  • Exact Mass: 190.13600
  • Monoisotopic Mass: 190.136
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 185
  • 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
  • Topological Polar Surface Area: 17.1A^2

Experimental Properties

  • PSA: 17.07000
  • LogP: 3.64870

2-(4-isobutyrylphenyl)propane Customs Data

  • HS CODE:2914399090
  • Customs Data:

    China Customs Code:

    2914399090

    Overview:

    2914399090. Other aromatic ketones without other oxygen-containing groups. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acetone declared packaging

    Summary:

    2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

2-(4-isobutyrylphenyl)propane Pricemore >>

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2-(4-isobutyrylphenyl)propane Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:72846-62-9)2-(4-isobutyrylphenyl)propane
Order Number:A1173389
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 01:25
Price ($):462.0

Additional information on 2-(4-isobutyrylphenyl)propane

Comprehensive Analysis of 2-(4-isobutyrylphenyl)propane (CAS No. 72846-62-9): Properties, Applications, and Industry Trends

2-(4-isobutyrylphenyl)propane (CAS No. 72846-62-9) is a specialized organic compound gaining attention in pharmaceutical intermediates and fine chemical synthesis. This aromatic ketone derivative, characterized by its isobutyrylphenyl core structure, exhibits unique physicochemical properties that make it valuable for research and industrial applications. With a molecular formula of C13H18O and a molar mass of 190.28 g/mol, this compound demonstrates remarkable stability under standard conditions, making it suitable for various synthetic pathways.

The growing demand for high-purity chemical intermediates in drug development has positioned 2-(4-isobutyrylphenyl)propane as a compound of significant interest. Recent studies highlight its potential as a building block for non-steroidal anti-inflammatory drugs (NSAIDs) analogs, aligning with current pharmaceutical trends toward targeted drug delivery systems. The compound's lipophilic nature and aromatic stability contribute to its versatility in organic synthesis, particularly in Friedel-Crafts acylation reactions and cross-coupling methodologies.

From a commercial perspective, 72846-62-9 has seen increased procurement activity in the fine chemicals market, with manufacturers focusing on green chemistry production methods. The compound's synthesis typically involves catalyzed carbonylations or selective hydrogenations, with current optimization efforts addressing atom economy and waste reduction – key concerns in modern sustainable chemistry practices. Analytical characterization through HPLC-MS and NMR spectroscopy confirms its structural integrity and purity levels exceeding 98%, meeting stringent pharmaceutical-grade requirements.

Emerging applications of 2-(4-isobutyrylphenyl)propane extend to material science, where its molecular architecture serves as a precursor for advanced polymer modifiers. Researchers are investigating its incorporation into photo-responsive materials and liquid crystal displays (LCDs), capitalizing on the compound's thermal stability and optical properties. These developments coincide with industry demands for high-performance additives in electronics and specialty coatings.

Quality control protocols for CAS 72846-62-9 emphasize chromatographic purity analysis and residual solvent monitoring, reflecting the compound's importance in GMP-compliant synthesis. Storage recommendations typically specify inert atmosphere preservation at controlled temperatures to maintain optimal stability. The compound's structure-activity relationship continues to be explored in medicinal chemistry research, particularly regarding its potential bioisosteric replacements in lead compound optimization.

Market analysts note steady growth in the global aromatic ketones sector, with 2-(4-isobutyrylphenyl)propane representing a niche but expanding segment. Current pricing trends reflect the compound's specialty chemical status, with variations based on batch purity and supply chain dynamics. Regulatory documentation for this material includes comprehensive safety data sheets and technical specifications that facilitate its use in multinational research collaborations.

Future research directions for 72846-62-9 may explore its catalytic applications in asymmetric synthesis or its potential as a molecular scaffold in combinatorial chemistry. The compound's structure-property relationships warrant further investigation, particularly regarding its electronic effects in supramolecular systems. These scientific inquiries align with broader industry movements toward functionalized aromatic compounds with tailored physicochemical profiles.

For laboratory handling, standard organic compound protocols apply to 2-(4-isobutyrylphenyl)propane, including proper ventilation measures and personal protective equipment usage. The compound's spectral data (IR, UV-Vis) have been well-documented, providing valuable references for analytical method development and quality assurance procedures in both academic and industrial settings.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:72846-62-9)2-(4-isobutyrylphenyl)propane
A1173389
Purity:99%
Quantity:1g
Price ($):462.0
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