Cas no 1955531-53-9 (1-(2-bromoethyl)-1H-pyrazole hydrobromide)

1-(2-Bromoethyl)-1H-pyrazole hydrobromide is a brominated pyrazole derivative with significant utility in organic synthesis and pharmaceutical research. Its reactive bromoethyl group enables efficient alkylation reactions, making it a valuable intermediate for constructing heterocyclic compounds and functionalized pyrazole derivatives. The hydrobromide salt form enhances stability and solubility, facilitating handling in synthetic applications. This compound is particularly useful in the development of biologically active molecules, including potential agrochemicals and medicinal agents. Its well-defined structure and reactivity profile allow for precise modifications, supporting advancements in drug discovery and material science. Careful storage under anhydrous conditions is recommended to maintain its integrity.
1-(2-bromoethyl)-1H-pyrazole hydrobromide structure
1955531-53-9 structure
Product Name:1-(2-bromoethyl)-1H-pyrazole hydrobromide
CAS No:1955531-53-9
MF:C5H8Br2N2
MW:255.938419342041
MDL:MFCD29054889
CID:4631434
PubChem ID:17992151
Update Time:2025-05-21

1-(2-bromoethyl)-1H-pyrazole hydrobromide Chemical and Physical Properties

Names and Identifiers

    • 1-(2-bromoethyl)-1H-pyrazole hydrobromide
    • 1-(2-bromoethyl)pyrazole;hydrobromide
    • MDL: MFCD29054889
    • Inchi: 1S/C5H7BrN2.BrH/c6-2-5-8-4-1-3-7-8;/h1,3-4H,2,5H2;1H
    • InChI Key: OCDXQTCMYCZKKW-UHFFFAOYSA-N
    • SMILES: BrCCN1C=CC=N1.Br

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 2
  • Complexity: 67.4
  • Topological Polar Surface Area: 17.8

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Additional information on 1-(2-bromoethyl)-1H-pyrazole hydrobromide

1-(2-bromoethyl)-1H-pyrazole hydrobromide: A Comprehensive Overview

1-(2-bromoethyl)-1H-pyrazole hydrobromide, also known by its CAS registry number CAS No. 1955531-53-9, is a chemical compound that has garnered significant attention in the fields of organic chemistry and pharmacology. This compound is a brominated derivative of pyrazole, a five-membered aromatic heterocycle with two nitrogen atoms. The presence of the bromine atom in the ethyl group introduces unique chemical properties, making it a valuable molecule for various applications.

The structure of 1-(2-bromoethyl)-1H-pyrazole hydrobromide consists of a pyrazole ring substituted with a 2-bromoethyl group. The hydrobromide salt form indicates the presence of an acidic hydrogen, which can be protonated to form the corresponding bromide ion. This structural feature not only enhances the compound's solubility in polar solvents but also facilitates its use in various chemical reactions, such as nucleophilic substitutions and additions.

Recent studies have highlighted the potential of pyrazole derivatives, including CAS No. 1955531-53-9, in drug discovery and development. Pyrazoles are known for their ability to modulate various biological targets, such as kinases, ion channels, and receptors. For instance, research has shown that certain pyrazole derivatives exhibit anti-inflammatory, antitumor, and antimicrobial activities. The bromine substituent in 1-(2-bromoethyl)-1H-pyrazole hydrobromide further enhances its pharmacological profile by increasing its lipophilicity and bioavailability.

In terms of synthesis, CAS No. 1955531-53-9 can be prepared through a variety of methods, including nucleophilic substitution reactions and coupling reactions. One common approach involves the reaction of 2-bromoethanol with pyrazole derivatives under specific conditions to form the desired product. The choice of reagents and reaction conditions plays a crucial role in determining the yield and purity of the final product.

The applications of 1-(2-bromoethyl)-1H-pyrazole hydrobromide extend beyond pharmacology into materials science and catalysis. For example, this compound can serve as a precursor for the synthesis of more complex molecules or as a building block in polymer chemistry. Its ability to undergo various transformations makes it a versatile tool for researchers in multiple disciplines.

From an environmental perspective, understanding the fate and transport of chemicals like CAS No. 1955531-53-9 is crucial for assessing their potential impact on ecosystems. Studies have shown that brominated compounds can undergo biodegradation under certain conditions, but their persistence in the environment depends on factors such as temperature, pH, and microbial activity.

In conclusion, 1-(2-bromoethyl)-1H-pyrazole hydrobromide, or CAS No. 1955531-53-9, is a multifaceted compound with promising applications across various scientific domains. Its unique chemical properties and versatility make it an invaluable tool for researchers seeking to explore new frontiers in chemistry and biology.

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