Cas no 142896-09-1 (Ethanone,1-[4-(1-methylethyl)-2-pyridinyl]-)

Ethanone,1-[4-(1-methylethyl)-2-pyridinyl]- is a specialized organic compound featuring a pyridine core substituted with an isopropyl group at the 4-position and an acetyl group at the 2-position. This structure imparts unique reactivity, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. Its pyridine moiety enhances electronic properties, while the acetyl group offers functional versatility for further derivatization. The isopropyl substitution contributes to steric and electronic modulation, influencing selectivity in coupling reactions. The compound is typically employed in heterocyclic chemistry for constructing complex molecular architectures. High purity grades ensure consistent performance in research and industrial applications. Proper handling under inert conditions is recommended due to potential sensitivity to air or moisture.
Ethanone,1-[4-(1-methylethyl)-2-pyridinyl]- structure
142896-09-1 structure
Product Name:Ethanone,1-[4-(1-methylethyl)-2-pyridinyl]-
CAS No:142896-09-1
MF:C10H13NO
MW:163.216322660446
MDL:MFCD17016138
CID:107989
PubChem ID:529345
Update Time:2025-08-05

Ethanone,1-[4-(1-methylethyl)-2-pyridinyl]- Chemical and Physical Properties

Names and Identifiers

    • Ethanone,1-[4-(1-methylethyl)-2-pyridinyl]-
    • 1-(4-Isopropylpyridin-2-yl)ethanone
    • 1-(4-propan-2-ylpyridin-2-yl)ethanone
    • 2-acetyl-4-isopropylpyridine
    • 1-[4-(1-Methylethyl)-2-pyridinyl]ethanone
    • 1-[4-(propan-2-yl)pyridin-2-yl]ethanone
    • Pyridine, 2-acetyl-4-(1-methylethyl)
    • T6NJ BV1 DY1&amp
    • SB54498
    • DTXSID40162212
    • SCHEMBL6169475
    • Ethanone, 1-[4-(1-methylethyl)-2-pyridinyl]-
    • (4-(1-Methylethyl)-2-pyridinyl)ethanone
    • 1-[4-(propan-2-yl)pyridin-2-yl]ethan-1-one
    • GS2494
    • FEMA No. 4638
    • Ethanone, 1-(4-(1-methylethyl)-2-pyridinyl)-
    • BS-49693
    • 142896-09-1
    • JRF96H7XWL
    • UNII-JRF96H7XWL
    • E84858
    • AKOS025394368
    • Ethanone, 1-[4-(1-methylethyl)-2-pyridinyl]- (9CI)
    • Q27281649
    • DTXCID2084703
    • MDL: MFCD17016138
    • Inchi: 1S/C10H13NO/c1-7(2)9-4-5-11-10(6-9)8(3)12/h4-7H,1-3H3
    • InChI Key: BWJDKYNJXZATRV-UHFFFAOYSA-N
    • SMILES: O=C(C)C1C=C(C=CN=1)C(C)C

Computed Properties

  • Exact Mass: 163.09979
  • Monoisotopic Mass: 163.1
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 165
  • 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: 2
  • Topological Polar Surface Area: 30?2

Experimental Properties

  • Density: 0.993
  • Boiling Point: 245.9°C at 760 mmHg
  • Flash Point: 108.8°C
  • Refractive Index: 1.503
  • PSA: 29.96
  • FEMA: 4638 | 2-ACETYL-4-ISOPROPYLPYRIDINE

Ethanone,1-[4-(1-methylethyl)-2-pyridinyl]- Pricemore >>

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Additional information on Ethanone,1-[4-(1-methylethyl)-2-pyridinyl]-

Comprehensive Overview of Ethanone,1-[4-(1-methylethyl)-2-pyridinyl]- (CAS No. 142896-09-1)

Ethanone,1-[4-(1-methylethyl)-2-pyridinyl]-, with the CAS number 142896-09-1, is a specialized organic compound that has garnered significant attention in the fields of pharmaceuticals, agrochemicals, and material science. This compound, often referred to by its systematic name, belongs to the class of pyridine derivatives, which are known for their versatile applications in synthetic chemistry. The presence of the isopropyl group and the ketone functional group in its structure makes it a valuable intermediate for the synthesis of more complex molecules.

In recent years, the demand for Ethanone,1-[4-(1-methylethyl)-2-pyridinyl]- has surged due to its potential role in the development of novel pharmaceutical agents. Researchers are particularly interested in its application as a building block for drugs targeting neurological disorders and metabolic diseases. The compound's unique structure allows for efficient modifications, enabling the creation of derivatives with enhanced bioactivity. This aligns with the growing trend in drug discovery to explore small molecule therapeutics that offer higher specificity and fewer side effects.

Another area where CAS No. 142896-09-1 has shown promise is in the agrochemical industry. With the increasing need for sustainable and efficient crop protection solutions, this compound has been investigated as a precursor for pesticides and herbicides. Its ability to interact with specific biological pathways in pests makes it a candidate for developing next-generation agrochemicals that are both effective and environmentally friendly. This is particularly relevant given the current focus on green chemistry and reducing the ecological footprint of agricultural practices.

The synthesis of Ethanone,1-[4-(1-methylethyl)-2-pyridinyl]- involves advanced organic synthesis techniques, including cross-coupling reactions and catalytic hydrogenation. These methods ensure high yield and purity, which are critical for its applications in sensitive industries like pharmaceutical manufacturing. The compound's stability under various conditions also makes it a reliable choice for industrial-scale production. As the demand for high-purity intermediates grows, optimizing these synthetic routes remains a key focus for chemists and engineers.

From a material science perspective, Ethanone,1-[4-(1-methylethyl)-2-pyridinyl]- has been explored for its potential in creating functional materials. Its incorporation into polymers and coatings can impart desirable properties such as enhanced durability and resistance to degradation. This is particularly valuable in industries like electronics and automotive, where materials must withstand harsh environments. The compound's ability to act as a ligand in coordination chemistry further expands its utility in designing catalysts for industrial processes.

In the context of scientific research, CAS No. 142896-09-1 is frequently cited in studies exploring structure-activity relationships (SAR). Understanding how subtle changes in its molecular structure affect its biological or chemical properties is crucial for tailoring its applications. This aligns with the broader scientific community's interest in molecular design and computational chemistry, where predictive models are used to accelerate the discovery of new compounds with desired traits.

The safety and handling of Ethanone,1-[4-(1-methylethyl)-2-pyridinyl]- are also topics of interest. While it is not classified as a hazardous material, proper laboratory practices should be followed to ensure safe usage. This includes working in well-ventilated areas and using appropriate personal protective equipment (PPE). The compound's material safety data sheet (MSDS) provides detailed guidelines for its storage and handling, which are essential for maintaining a safe working environment.

As the scientific community continues to explore the potential of Ethanone,1-[4-(1-methylethyl)-2-pyridinyl]-, its role in advancing various industries becomes increasingly evident. Whether in drug development, agrochemical innovation, or material engineering, this compound exemplifies the intersection of chemistry and practical applications. Future research will likely uncover even more uses for this versatile molecule, solidifying its importance in modern science and technology.

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