Cas no 1437794-58-5 (4-Bromo-1-butyl-3-(trifluoromethyl)pyrazole)

4-Bromo-1-butyl-3-(trifluoromethyl)pyrazole is a halogenated pyrazole derivative featuring a bromo substituent at the 4-position and a trifluoromethyl group at the 3-position, with a butyl chain at the 1-position. This compound is a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialty chemicals. The presence of both bromine and trifluoromethyl groups enhances its reactivity, enabling selective functionalization and cross-coupling reactions. Its stable pyrazole core and lipophilic butyl chain contribute to improved solubility in organic solvents, facilitating further derivatization. The compound is valuable for researchers exploring heterocyclic chemistry and fluorinated building blocks.
4-Bromo-1-butyl-3-(trifluoromethyl)pyrazole structure
1437794-58-5 structure
Product Name:4-Bromo-1-butyl-3-(trifluoromethyl)pyrazole
CAS No:1437794-58-5
MF:C8H10BrF3N2
MW:271.077611446381
MDL:MFCD24448781
CID:2091954
Update Time:2025-10-25

4-Bromo-1-butyl-3-(trifluoromethyl)pyrazole Chemical and Physical Properties

Names and Identifiers

    • 4-Bromo-1-butyl-3-(trifluoromethyl)pyrazole
    • MDL: MFCD24448781
    • Inchi: 1S/C8H10BrF3N2/c1-2-3-4-14-5-6(9)7(13-14)8(10,11)12/h5H,2-4H2,1H3
    • InChI Key: NNCCJUQHKDUBCU-UHFFFAOYSA-N
    • SMILES: BrC1C(C(F)(F)F)=NN(C=1)CCCC

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4

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Additional information on 4-Bromo-1-butyl-3-(trifluoromethyl)pyrazole

4-Bromo-1-butyl-3-(trifluoromethyl)pyrazole: A Comprehensive Overview

4-Bromo-1-butyl-3-(trifluoromethyl)pyrazole (CAS No. 1437794-58-5) is a versatile and intriguing compound that has garnered significant attention in the fields of organic chemistry, pharmacology, and materials science. This compound, characterized by its pyrazole ring system with substituents at positions 1, 3, and 4, exhibits unique chemical properties that make it a valuable building block in various research and industrial applications.

The pyrazole ring, a five-membered heterocyclic structure containing two nitrogen atoms, forms the core of this molecule. The substituents attached to this ring—specifically, the bromine atom at position 4, the butyl group at position 1, and the trifluoromethyl group at position 3—contribute significantly to its chemical reactivity and physical properties. These substituents not only enhance the compound's stability but also impart specific electronic and steric effects that are critical in its application as a precursor for more complex molecules.

Recent studies have highlighted the potential of 4-Bromo-1-butyl-3-(trifluoromethyl)pyrazole in the development of novel pharmaceutical agents. Its ability to act as a scaffold for bioactive molecules has been explored in various drug discovery programs. For instance, researchers have utilized this compound as a key intermediate in the synthesis of inhibitors for kinase enzymes, which are implicated in numerous pathological conditions such as cancer and inflammatory diseases.

In addition to its pharmacological applications, 4-Bromo-1-butyl-3-(trifluoromethyl)pyrazole has also found utility in materials science. Its unique electronic properties make it a promising candidate for use in organic electronics, particularly in the development of light-emitting diodes (LEDs) and photovoltaic devices. Recent advancements in this area have demonstrated that derivatives of this compound can exhibit enhanced charge transport properties, making them suitable for next-generation electronic devices.

The synthesis of 4-Bromo-1-butyl-3-(trifluoromethyl)pyrazole involves a multi-step process that typically begins with the preparation of the pyrazole ring followed by selective substitution at specific positions. Researchers have optimized these synthetic routes to achieve high yields and purity levels, ensuring that the compound is readily available for large-scale applications.

One of the most recent breakthroughs involving this compound is its use as a catalyst in asymmetric synthesis reactions. By leveraging its chiral properties, scientists have successfully employed 4-Bromo-1-butyl-3-(trifluoromethyl)pyrazole to facilitate enantioselective transformations, which are crucial in the production of chiral pharmaceuticals.

Moreover, 4-Bromo-1-butyl-3-(trifluoromethyl)pyrazole has been investigated for its potential in agrochemical applications. Its ability to act as a precursor for herbicides and fungicides has been explored extensively, with promising results indicating its efficacy in controlling various plant pathogens without adverse environmental impacts.

In conclusion, 4-Bromo-1-butyl-3-(trifluoromethyl)pyrazole (CAS No. 1437794-58-5) stands out as a multifaceted compound with diverse applications across multiple disciplines. Its unique chemical structure, combined with recent advancements in synthetic methodologies and application studies, underscores its importance as a valuable tool in modern chemistry research.

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