Cas no 1183903-41-4 (4-bromo-1-(3-methoxypropyl)-1H-pyrazole)

4-Bromo-1-(3-methoxypropyl)-1H-pyrazole is a versatile heterocyclic compound featuring a pyrazole core substituted with a bromo group at the 4-position and a 3-methoxypropyl moiety at the 1-position. This structure imparts reactivity suitable for further functionalization, making it a valuable intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. The bromo group enables cross-coupling reactions, while the methoxypropyl side chain enhances solubility and stability. Its well-defined reactivity profile allows for precise modifications, facilitating the development of targeted molecules. The compound is typically supplied with high purity, ensuring consistent performance in research and industrial processes. Proper handling under inert conditions is recommended due to its sensitivity.
4-bromo-1-(3-methoxypropyl)-1H-pyrazole structure
1183903-41-4 structure
Product Name:4-bromo-1-(3-methoxypropyl)-1H-pyrazole
CAS No:1183903-41-4
MF:C7H11BrN2O
MW:219.079040765762
CID:3038577
PubChem ID:50989302
Update Time:2025-11-02

4-bromo-1-(3-methoxypropyl)-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 4-bromo-1-(3-methoxypropyl)-1H-pyrazole
    • 4-bromo-1-(3-methoxypropyl)pyrazole
    • Z733308958
    • AKOS008142782
    • 968-591-6
    • 1183903-41-4
    • EN300-67594
    • G20582
    • CS-0257703
    • SCHEMBL3792320
    • IXB90341
    • Inchi: 1S/C7H11BrN2O/c1-11-4-2-3-10-6-7(8)5-9-10/h5-6H,2-4H2,1H3
    • InChI Key: XWJYPHHYILWMTG-UHFFFAOYSA-N
    • SMILES: BrC1C=NN(C=1)CCCOC

Computed Properties

  • Exact Mass: 218.00500
  • Monoisotopic Mass: 218.00548Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 4
  • Complexity: 113
  • 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: 1.1
  • Topological Polar Surface Area: 27.1?2

Experimental Properties

  • PSA: 27.05000
  • LogP: 1.68210

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Additional information on 4-bromo-1-(3-methoxypropyl)-1H-pyrazole

Comprehensive Guide to 4-bromo-1-(3-methoxypropyl)-1H-pyrazole (CAS No. 1183903-41-4): Properties, Applications, and Market Insights

4-bromo-1-(3-methoxypropyl)-1H-pyrazole (CAS No. 1183903-41-4) is a specialized heterocyclic compound that has garnered significant attention in pharmaceutical and agrochemical research. This pyrazole derivative features a bromine substituent at the 4-position and a 3-methoxypropyl group at the 1-position, making it a versatile intermediate for synthesizing more complex molecules. Researchers and manufacturers value this compound for its unique structural properties, which enable diverse applications in drug discovery and material science.

The growing demand for 4-bromo-1-(3-methoxypropyl)-1H-pyrazole is driven by its role as a key building block in medicinal chemistry. Recent trends show increased interest in pyrazole-based compounds due to their potential in developing kinase inhibitors and anti-inflammatory agents. With the rise of AI-driven drug discovery, this compound has become particularly relevant as computational models identify its scaffold as promising for targeted therapies. The CAS 1183903-41-4 substance also finds applications in material science, where its electronic properties are explored for organic semiconductors.

From a chemical perspective, 4-bromo-1-(3-methoxypropyl)-1H-pyrazole exhibits several noteworthy characteristics. The bromine atom provides an excellent site for further functionalization through cross-coupling reactions, while the methoxypropyl side chain enhances solubility in organic solvents. These features make it particularly valuable for parallel synthesis and combinatorial chemistry approaches that are currently revolutionizing pharmaceutical R&D. The compound's molecular weight of 234.09 g/mol and balanced lipophilicity make it suitable for drug-like molecule development.

The synthesis of 4-bromo-1-(3-methoxypropyl)-1H-pyrazole typically involves multi-step organic reactions starting from commercially available pyrazole precursors. Modern green chemistry approaches are being applied to optimize its production, reducing waste and improving yields. These advancements align with the pharmaceutical industry's growing emphasis on sustainable synthesis methods, addressing one of the most searched topics in chemical manufacturing today.

In the current market landscape, CAS 1183903-41-4 is primarily supplied by specialty chemical manufacturers catering to pharmaceutical and biotechnology companies. The global demand for pyrazole derivatives is projected to grow steadily, driven by increased investment in small molecule drug development. Quality control specifications for this compound typically require ≥95% purity by HPLC, with strict limits on residual solvents and heavy metals to meet pharmaceutical-grade standards.

Researchers working with 4-bromo-1-(3-methoxypropyl)-1H-pyrazole should note its stability profile. The compound is generally stable under inert atmosphere at room temperature but may require protection from prolonged light exposure. Proper storage conditions and handling procedures are essential to maintain its chemical integrity, especially for long-term research projects or scale-up activities.

The analytical characterization of 4-bromo-1-(3-methoxypropyl)-1H-pyrazole typically involves a combination of techniques including NMR spectroscopy, mass spectrometry, and HPLC analysis. These methods provide comprehensive confirmation of molecular structure and purity, which are critical for research reproducibility – a hot topic in modern chemical sciences. Recent publications have demonstrated innovative applications of this compound in metal-catalyzed coupling reactions, further expanding its utility in synthetic chemistry.

From a regulatory perspective, CAS 1183903-41-4 is not currently listed under controlled substance regulations in major markets. However, researchers should always verify the latest regulatory status before international shipping or large-scale procurement. The compound's safety data sheet provides essential information about proper handling, personal protective equipment requirements, and first aid measures.

Future research directions for 4-bromo-1-(3-methoxypropyl)-1H-pyrazole may explore its potential in emerging fields such as proteolysis targeting chimeras (PROTACs) and covalent inhibitors. The compound's structural features make it an attractive candidate for these cutting-edge therapeutic approaches that dominate current medicinal chemistry literature. Additionally, its application in materials science, particularly in organic electronics, represents another promising avenue for investigation.

For researchers sourcing 4-bromo-1-(3-methoxypropyl)-1H-pyrazole, it's advisable to work with reputable suppliers who can provide comprehensive analytical data and regulatory documentation. The compound is typically available in gram to kilogram quantities, with custom synthesis options for larger-scale requirements. As with all fine chemicals, proper quality assurance protocols should be established to ensure consistent performance in research applications.

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