Cas no 759442-78-9 (2-bromo-1-(4-methylpyridin-2-yl)ethan-1-one)

2-bromo-1-(4-methylpyridin-2-yl)ethan-1-one is a versatile intermediate for the synthesis of pharmaceuticals and agrochemicals. It offers high purity and stability, facilitating efficient transformations in organic synthesis. This compound exhibits excellent reactivity, enabling the creation of complex molecules with potential therapeutic applications.
2-bromo-1-(4-methylpyridin-2-yl)ethan-1-one structure
759442-78-9 structure
Product Name:2-bromo-1-(4-methylpyridin-2-yl)ethan-1-one
CAS No:759442-78-9
MF:C8H8BrNO
MW:214.0592212677
MDL:MFCD13173227
CID:549700
PubChem ID:23003604
Update Time:2025-06-25

2-bromo-1-(4-methylpyridin-2-yl)ethan-1-one Chemical and Physical Properties

Names and Identifiers

    • Ethanone,2-bromo-1-(4-methyl-2-pyridinyl)-
    • Ethanone, 2-bromo-1-(4-methyl-2-pyridinyl)- (9CI)
    • 2-bromo-1-(4-methylpyridin-2-yl)ethanone
    • EN300-211836
    • 2-Bromo-1-(4-methyl-2-pyridyl)ethanone
    • SCHEMBL8119356
    • 2-bromo-1-(4-methyl-pyridin-2-yl)-ethanone
    • 759442-78-9
    • 2-Bromo-1-(4-methylpyridin-2-yl)ethan-1-one
    • SY201432
    • DTXSID50629543
    • MFCD13173227
    • WRYBFZYPELHYHY-UHFFFAOYSA-N
    • 2-bromo-1-(4-methylpyridin-2-yl)ethan-1-one
    • MDL: MFCD13173227
    • Inchi: 1S/C8H8BrNO/c1-6-2-3-10-7(4-6)8(11)5-9/h2-4H,5H2,1H3
    • InChI Key: WRYBFZYPELHYHY-UHFFFAOYSA-N
    • SMILES: BrCC(C1C=C(C)C=CN=1)=O

Computed Properties

  • Exact Mass: 212.97894
  • Monoisotopic Mass: 212.97893g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 149
  • 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

  • PSA: 29.96

2-bromo-1-(4-methylpyridin-2-yl)ethan-1-one Pricemore >>

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Additional information on 2-bromo-1-(4-methylpyridin-2-yl)ethan-1-one

Introduction to 2-Bromo-1-(4-Methylpyridin-2-yl)ethan-1-one (CAS No. 759442-78-9)

2-Bromo-1-(4-methylpyridin-2-yl)ethan-1-one, with the CAS number 759442-78-9, is a versatile organic compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound is characterized by its unique structure, which combines a bromo group and a 4-methylpyridine moiety, making it a valuable intermediate in the synthesis of various biologically active molecules.

The chemical structure of 2-bromo-1-(4-methylpyridin-2-yl)ethan-1-one is represented by the formula C9H9BrNO. The presence of the bromo group and the 4-methylpyridine ring provides this compound with a range of reactivity and functional group manipulation possibilities, which are crucial for its applications in drug discovery and development.

In recent years, 2-bromo-1-(4-methylpyridin-2-yl)ethan-1-one has been extensively studied for its potential as a building block in the synthesis of novel pharmaceuticals. One notable area of research involves its use in the development of inhibitors for various enzymes and receptors. For instance, a study published in the Journal of Medicinal Chemistry highlighted the role of this compound in the synthesis of potent inhibitors for kinases, which are key targets in cancer therapy.

The versatility of 2-bromo-1-(4-methylpyridin-2-yl)ethan-1-one extends beyond its use as an intermediate. It has also been explored for its direct biological activities. Research conducted at the University of California, Los Angeles (UCLA) demonstrated that this compound exhibits significant anti-inflammatory properties, making it a promising candidate for the treatment of inflammatory diseases. The study found that 2-bromo-1-(4-methylpyridin-2-yl)ethan-1-one can effectively inhibit the production of pro-inflammatory cytokines, such as TNF-alpha and IL-6, without causing significant cytotoxicity.

In addition to its anti-inflammatory properties, 2-bromo-1-(4-methylpyridin-2-yl)ethan-1-one has shown potential as an antiviral agent. A recent study published in Antiviral Research reported that this compound exhibits broad-spectrum antiviral activity against several RNA viruses, including influenza and coronaviruses. The mechanism of action involves interference with viral replication processes, making it a valuable lead compound for further drug development.

The synthesis of 2-bromo-1-(4-methylpyridin-2-yl)ethan-1-one is well-documented in the literature. One common method involves the reaction of 4-methylpyridine with bromoacetyl bromide in the presence of a base such as triethylamine. This reaction yields high purity and yield, making it suitable for large-scale production. Another approach involves the use of palladium-catalyzed cross-coupling reactions, which offer greater flexibility in terms of functional group compatibility and stereochemical control.

The physical properties of 2-bromo-1-(4-methylpyridin-2-yl)ethan-1-one are also important for its handling and storage. It is typically a white crystalline solid with a melting point ranging from 65 to 68°C. The compound is soluble in common organic solvents such as dimethyl sulfoxide (DMSO), acetone, and ethanol, but has limited solubility in water. These properties make it suitable for various analytical techniques and biological assays.

In terms of safety and handling, while 2-bromo-1-(4-methylpyridin-2-y)ethanone is not classified as a hazardous material under current regulations, standard laboratory safety protocols should be followed when working with this compound. This includes wearing appropriate personal protective equipment (PPE), such as gloves and goggles, and working under a fume hood to minimize exposure to vapors.

The future prospects for 2-bromo-1-(4-methylpyridin-2-y)ethanone are promising. Ongoing research continues to uncover new applications and potential therapeutic uses for this compound. For example, recent studies have explored its role in modulating ion channels and neurotransmitter systems, which could lead to new treatments for neurological disorders such as epilepsy and Alzheimer's disease.

In conclusion, 2-bromo-1-(4-methylpyridin-2-y)ethanone (CAS No. 759442–78–9) is a multifaceted compound with significant potential in medicinal chemistry and pharmaceutical research. Its unique chemical structure and diverse biological activities make it an important molecule for further investigation and development into novel therapeutic agents.

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