Cas no 890098-36-9 (2-Acetoxy-4'-isopropylbenzophenone)

2-Acetoxy-4'-isopropylbenzophenone is a benzophenone derivative characterized by the presence of an acetoxy group at the 2-position and an isopropyl group at the 4'-position of the benzene ring. This compound is primarily utilized in organic synthesis and photochemistry due to its ability to act as a photoinitiator or intermediate in the production of specialty chemicals. Its structural features contribute to enhanced solubility and reactivity, making it suitable for applications requiring controlled UV-induced polymerization. The isopropyl substitution improves steric stability, while the acetoxy group offers functional versatility for further chemical modifications. This compound is typically handled under standard laboratory conditions, with attention to appropriate storage and handling protocols.
2-Acetoxy-4'-isopropylbenzophenone structure
890098-36-9 structure
Product Name:2-Acetoxy-4'-isopropylbenzophenone
CAS No:890098-36-9
MF:C18H18O3
MW:282.333725452423
CID:993525
PubChem ID:24722883
Update Time:2025-10-28

2-Acetoxy-4'-isopropylbenzophenone Chemical and Physical Properties

Names and Identifiers

    • [2-(4-propan-2-ylbenzoyl)phenyl] acetate
    • 2-ACETOXY-4'-ISOPROPYLBENZOPHENONE
    • 890098-36-9
    • 2-[4-(Propan-2-yl)benzoyl]phenyl acetate
    • MFCD07698824
    • DTXSID80641576
    • AKOS016018293
    • 2-(4-ISOPROPYLBENZOYL)PHENYL ACETATE
    • 2-Acetoxy-4'-isopropylbenzophenone
    • MDL: MFCD07698824
    • Inchi: 1S/C18H18O3/c1-12(2)14-8-10-15(11-9-14)18(20)16-6-4-5-7-17(16)21-13(3)19/h4-12H,1-3H3
    • InChI Key: KXQUBSAYMZBEGO-UHFFFAOYSA-N
    • SMILES: O(C(C)=O)C1C=CC=CC=1C(C1C=CC(=CC=1)C(C)C)=O

Computed Properties

  • Exact Mass: 282.125594432g/mol
  • Monoisotopic Mass: 282.125594432g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 5
  • Complexity: 367
  • 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: 4.1
  • Topological Polar Surface Area: 43.4?2

2-Acetoxy-4'-isopropylbenzophenone Pricemore >>

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Fluorochem
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Additional information on 2-Acetoxy-4'-isopropylbenzophenone

2-Acetoxy-4'-isopropylbenzophenone: A Comprehensive Overview

2-Acetoxy-4'-isopropylbenzophenone, also known by its CAS number 890098-36-9, is a compound of significant interest in the fields of organic chemistry and pharmacology. This benzophenone derivative has garnered attention due to its unique structural features and potential applications in drug design and material science. In this article, we delve into the properties, synthesis, and recent advancements in the research of this compound.

The molecular structure of 2-Acetoxy-4'-isopropylbenzophenone consists of a benzophenone backbone with an acetoxy group at the 2-position and an isopropyl group at the 4' position. This arrangement imparts distinct electronic and steric properties to the molecule, making it a valuable substrate for various chemical reactions. Recent studies have explored its role as a precursor in the synthesis of bioactive compounds, particularly in the development of anti-inflammatory and antioxidant agents.

One of the most notable aspects of benzophenone derivatives like 2-Acetoxy-4'-isopropylbenzophenone is their ability to undergo photochemical reactions. Researchers have demonstrated that this compound can serve as a photosensitizer in photodynamic therapy (PDT), a promising approach for treating various cancers. The acetoxy group enhances the compound's solubility in biological fluids, while the isopropyl group improves its stability under physiological conditions. These properties make it an ideal candidate for further exploration in medicinal chemistry.

In terms of synthesis, several methods have been reported for the preparation of 2-Acetoxy-4'-isopropylbenzophenone. A common approach involves the Friedel-Crafts acylation reaction, where an acetylating agent reacts with a substituted benzene ring in the presence of a Lewis acid catalyst. Recent advancements have focused on optimizing this reaction to improve yield and purity, often employing microwave-assisted techniques or green chemistry principles.

The pharmacological evaluation of 2-Acetoxy-4'-isopropylbenzophenone has revealed its potential as an anti-cancer agent. Studies conducted in vitro have shown that this compound induces apoptosis in cancer cells by modulating key signaling pathways such as MAPK and NF-kB. Additionally, its antioxidant properties make it a potential candidate for mitigating oxidative stress-related diseases.

Beyond its medicinal applications, benzophenone derivatives like 2-Acetoxy-4'-isopropylbenzophenone are also being investigated for their role in material science. Researchers have explored their use as building blocks for constructing advanced materials, including organic semiconductors and stimuli-responsive polymers. The unique electronic properties of this compound make it a valuable component in these applications.

In conclusion, 2-Acetoxy-4'-isopropylbenzophenone represents a versatile compound with diverse applications across multiple disciplines. Its structural features, coupled with recent research advancements, underscore its potential as a key player in drug discovery and materials development. As ongoing studies continue to uncover new insights into its properties and uses, this compound is poised to make significant contributions to both academic and industrial sectors.

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