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1H-1,2,3-Triazole, 1-[[4-(trifluoromethyl)phenyl]methyl]- is a chemical compound with the molecular formula C10H8F3N3. It is a derivative of 1,2,3-triazole, a five-membered heterocyclic ring containing three nitrogen atoms. The compound features a 4-(trifluoromethyl)phenyl group attached to the triazole ring through a methylene bridge. This specific structure endows the compound with unique chemical and physical properties, making it potentially useful in various applications, such as pharmaceuticals, agrochemicals, or materials science. The presence of the trifluoromethyl group contributes to its stability and lipophilicity, which can influence its reactivity and biological activity.

63777-87-7

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63777-87-7 Usage

Triazole derivative

five-membered heterocyclic compound
It is a derivative of a triazole, which is a five-membered ring containing three nitrogen atoms and two carbon atoms.

Trifluoromethylphenylmethyl group

attached to the triazole ring
The compound has a trifluoromethylphenylmethyl group (-CF3C6H4CH2-) attached to the triazole ring, which contributes to its unique properties and potential applications.

Potential applications

pharmaceuticals, agrochemicals, and other bioactive compounds
Due to its unique structure, the compound can be used as a building block for the synthesis of various pharmaceuticals, agrochemicals, and other bioactive compounds.

Research interest

medicinal chemistry and drug development
The compound's unique structure and properties make it an interesting target for research in the fields of medicinal chemistry and drug development.

Chemical structure

aromatic and electronegative features
The compound has an aromatic structure with the presence of a trifluoromethyl group, which is electronegative and can influence the compound's reactivity and stability.

Synthesis

can be synthesized through various chemical reactions
The compound can be synthesized through different chemical reactions, such as nucleophilic substitution, cycloaddition, or other methods, depending on the desired application and target molecule.

Stability

influenced by the trifluoromethyl group and triazole ring
The stability of the compound is influenced by the presence of the electronegative trifluoromethyl group and the triazole ring, which can affect its reactivity and potential applications.

Solubility

may vary depending on the solvent and conditions
The solubility of the compound may vary depending on the solvent used and the reaction conditions, which can be important for its synthesis and application in various fields.

Reactivity

influenced by the triazole ring and trifluoromethyl group
The reactivity of the compound is influenced by the presence of the triazole ring and the electronegative trifluoromethyl group, which can affect its potential use in the synthesis of pharmaceuticals and other bioactive compounds.

Check Digit Verification of cas no

The CAS Registry Mumber 63777-87-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,3,7,7 and 7 respectively; the second part has 2 digits, 8 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 63777-87:
(7*6)+(6*3)+(5*7)+(4*7)+(3*7)+(2*8)+(1*7)=167
167 % 10 = 7
So 63777-87-7 is a valid CAS Registry Number.

63777-87-7Downstream Products

63777-87-7Relevant academic research and scientific papers

Triazole derivative as well as preparation method and application thereof

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Paragraph 0053; 0060-0061; 0064, (2020/06/09)

The invention relates to a triazole derivative as well as a preparation method and application thereof, which belong to the technical field of organic synthetic drugs. The structure of the triazole derivative is shown as a formula I. In the formula I, R1 and R2 are H, Cl, Br,-CF3,-CH(CH3)2 or -OCH3, and R1 and R2 are not H at the same time. R3 is -CH2 or -COCH2; X and Y are N or C, X and Y are not C at the same time, and X and Y are not N at the same time. The triazole derivative disclosed by the invention has a certain inhibition effect on germs of various crop diseases. Small toxic andside effects on plants are achieved. The preparation method of the triazole derivative is simple.

Self-Assembled Polymeric Pyridine Copper Catalysts for Huisgen Cycloaddition with Alkynes and Acetylene Gas: Application in Synthesis of Tazobactam

Hu, Hao,Ohno, Aya,Sato, Takuma,Mase, Toshiaki,Uozumi, Yasuhiro,Yamada, Yoichi M. A.

supporting information, p. 493 - 498 (2019/04/30)

Novel convoluted polymeric pyridine copper(I) catalysts PVPy-Cu were developed for the Huisgen cyclization of organic azides using alkynes and acetylene gas. They were readily prepared based on our molecular convolution of CuSO4·5H2O and poly(4-vinylpyridine) (PVPy) in the presence of sodium ascorbate with and without various sodium salts in water. Their structural investigation was conducted using XANES and EXAFS, as well as DFT calculation. The Huisgen cycloaddition of a variety of alkynes and acetylene gas was carried out using 100 to 800 mol ppm of Cu of PVPy-Cu in water, whose turnover numbers reached up to 10 000. This catalytic system was applied to the synthesis of tazobactam, which is an inhibitor of bacterial β-lactamases.

Phase-Vanishing Method with Acetylene Evolution and Its Utilization in Several Organic Syntheses

Matake, Ryosuke,Niwa, Yuki,Matsubara, Hiroshi

supporting information, p. 2354 - 2357 (2015/06/02)

A novel quadraphasic phase-vanishing system in which acetylene is evolved from calcium carbide and directly applied in situ to the Sonogashira coupling reaction was developed. This method, which provides a safe, convenient, and one-pot means to utilize gaseous reagents without special equipment, was also applied to a Cu-catalyzed azide-alkyne cycloaddition (CuAAC) reaction and a three-component aldehyde-alkyne-amine (A3) coupling reaction with excellent results. (Figure Presented).

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