Cas no 895029-27-3 (4-(4-Chloro-phenyl)-2-p-tolyl-2H-pyrazol-3-ylamine)

4-(4-Chloro-phenyl)-2-p-tolyl-2H-pyrazol-3-ylamine is a pyrazole-based organic compound featuring a chloro-phenyl and p-tolyl substitution pattern. This structure imparts unique electronic and steric properties, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. Its amine functionality enhances reactivity, enabling further derivatization for the development of biologically active molecules. The compound exhibits stability under standard conditions, ensuring consistent performance in synthetic applications. Its well-defined molecular architecture allows for precise modifications, facilitating research in medicinal chemistry and material science. The presence of both chloro and methyl substituents contributes to its versatility in cross-coupling and heterocyclic transformations.
4-(4-Chloro-phenyl)-2-p-tolyl-2H-pyrazol-3-ylamine structure
895029-27-3 structure
Product Name:4-(4-Chloro-phenyl)-2-p-tolyl-2H-pyrazol-3-ylamine
CAS No:895029-27-3
MF:C16H14ClN3O2S
MW:347.819261074066
CID:3099696
Update Time:2026-04-27

4-(4-Chloro-phenyl)-2-p-tolyl-2H-pyrazol-3-ylamine Chemical and Physical Properties

Names and Identifiers

    • 4-(4-Chloro-phenyl)-2-p-tolyl-2H-pyrazol-3-ylamine
    • Inchi: InChI=1S/C16H14ClN3/c1-11-2-8-14(9-3-11)20-16(18)15(10-19-20)12-4-6-13(17)7-5-12/h2-10H,18H2,1H3
    • InChI Key: WOVALTFNGRNQRX-UHFFFAOYSA-N
    • SMILES: CC1=CC=C(C=C1)N2C(=C(C=N2)C3=CC=C(C=C3)Cl)N

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2

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4-(4-Chloro-phenyl)-2-p-tolyl-2H-pyrazol-3-ylamine Related Literature

Additional information on 4-(4-Chloro-phenyl)-2-p-tolyl-2H-pyrazol-3-ylamine

4-(4-Chloro-phenyl)-2-p-tolyl-2H-pyrazol-3-ylamine: A Comprehensive Overview

4-(4-Chloro-phenyl)-2-p-tolyl-2H-pyrazol-3-ylamine (CAS No: 895029-27-3) is a fascinating compound with significant potential in various fields of chemistry and materials science. This compound, characterized by its unique structure and properties, has garnered attention from researchers due to its versatility and applicability in advanced chemical systems. The molecule consists of a pyrazole ring system, which is a five-membered aromatic heterocycle containing two nitrogen atoms. This core structure is further substituted with a 4-chlorophenyl group and a p-tolyl group, endowing the compound with distinctive electronic and steric properties.

The synthesis of 4-(4-Chloro-phenyl)-2-p-tolyl-2H-pyrazol-3-ylamine involves a series of well-established organic reactions, including nucleophilic substitution, condensation, and cyclization processes. Recent advancements in catalytic methods have enabled the efficient and selective preparation of this compound, ensuring high purity and yield. The use of transition metal catalysts, such as palladium complexes, has been particularly effective in facilitating key steps in its synthesis.

One of the most notable applications of this compound lies in its role as an intermediate in drug discovery. The pyrazole moiety is known for its ability to interact with various biological targets, making it a valuable component in the development of new pharmaceutical agents. For instance, studies have shown that derivatives of this compound exhibit potent anti-inflammatory and antioxidant activities, suggesting their potential use in treating conditions such as neurodegenerative diseases and cardiovascular disorders.

In addition to its biomedical applications, 4-(4-Chloro-phenyl)-2-p-tolyl-2H-pyrazol-3-ylamine has also found utility in materials science. Its ability to form stable coordination complexes with metal ions makes it an attractive candidate for use in catalysis and sensor technologies. Recent research has highlighted its potential as a ligand in homogeneous catalysis, where it facilitates the selective oxidation of alcohols to ketones under mild conditions.

The electronic properties of this compound are further enhanced by the presence of electron-withdrawing groups like the 4-chlorophenyl substituent. These groups modulate the reactivity of the pyrazole ring, enabling it to participate in various redox reactions. This characteristic has led to its exploration as an electrocatalyst in fuel cell applications, where it promotes efficient oxygen reduction reactions.

From a structural standpoint, the pyrazole ring serves as a versatile scaffold for further functionalization. The substitution pattern at positions 1 and 3 allows for the introduction of diverse functional groups, thereby expanding the scope of potential applications. For example, the introduction of hydroxamic acid groups has been shown to enhance metal-binding capabilities, making such derivatives valuable in chelation therapy.

Recent advancements in computational chemistry have provided deeper insights into the electronic structure and reactivity of 4-(4-Chloro-phenyl)-2-p-tolyl-2H-pyrazol-3-ylamine. Density functional theory (DFT) calculations have revealed that the compound exhibits significant conjugation across its aromatic system, contributing to its stability and reactivity. These findings have been instrumental in guiding experimental efforts toward optimizing its synthesis and application.

In conclusion, 4-(4-Chloro-phenyl)-2-p-tolyl-2H-pyrazol-3-ylamine (CAS No: 895029-27-3) stands out as a multifaceted compound with promising prospects across various domains of chemistry. Its unique structure, coupled with recent breakthroughs in synthesis and application techniques, positions it as a key player in advancing both fundamental research and industrial applications.

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