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3-Trifluoromethyl-1-phenyl-1H-pyrazol-5(4H)-one is a chemical compound with the molecular formula C10H6F3N2O. It is a derivative of pyrazolone, a heterocyclic compound with a pyrazole ring fused to a ketone. This specific compound features a trifluoromethyl group (-CF3) at the 3-position, a phenyl group (C6H5) at the 1-position, and a 4H-pyrazolone ring structure. It is known for its potential applications in pharmaceuticals and agrochemicals, particularly as a building block for the synthesis of various biologically active molecules. The compound's properties, such as its reactivity and stability, are influenced by the presence of the electron-withdrawing trifluoromethyl group and the aromatic phenyl ring, making it a subject of interest in organic chemistry and medicinal chemistry research.

781-93-1

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781-93-1 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 781-93-1 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 7,8 and 1 respectively; the second part has 2 digits, 9 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 781-93:
(5*7)+(4*8)+(3*1)+(2*9)+(1*3)=91
91 % 10 = 1
So 781-93-1 is a valid CAS Registry Number.

781-93-1Relevant academic research and scientific papers

Efficient Synthesis of Five Types of Heterocyclic Compounds via Intramolecular Elimination Using Ultrasound-Static Heating Technique

Jiang, Hongfei,Dong, Xueyang,Jin, Xin,Zhu, Danyang,Yin, Ruijuan,Yu, Rilei,Wan, Shengbiao,Zhang, Lijuan,Jiang, Tao

supporting information, p. 2009 - 2013 (2018/07/31)

An experimental technique, ultrasound-static heating, has been developed for the efficient synthesis of heterocyclic compounds. The technique involves ultrasonic irradiation and static heating processes. First, the ultrasonic irradiation process is performed to form an intermediate of the heterocyclic compound under mild conditions and the subsequent static heating process (heating the intermediate under solvent-free conditions without stirring) produces the target heterocyclic compounds via intramolecular elimination.

Development of the next generation of HIV-1 integrase inhibitors: Pyrazolone as a novel inhibitor scaffold

Hadi, Victor,Koh, Yung-Hyo,Sanchez, Tino Wilson,Barrios, Danielle,Neamati, Nouri,Jung, Kyung Woon

scheme or table, p. 6854 - 6857 (2011/01/04)

HIV-1 integrase (IN), one of the essential enzymes in HIV infection, has been validated as a target for HIV treatment. While more than 20 drugs have been approved by the FDA to treat HIV/AIDS, only one drug, Raltegravir (1), was approved as an IN inhibitor. The rapid mutation of the virus, which leads to multidrug resistant HIV strains, presents an urgent need to find potent compounds that can serve as second-generation IN inhibitors. The pyrazolone scaffold, predicted by a computational modeling study using GS-9137(2) as a pharmacophoric model, has shown to inhibit the IN catalytic activities in low micromolar range. We have synthesized various analogs based on the pyrazolone scaffold and performed SAR studies. This paper will showcase the up-to-date result of this scaffold as a promising HIV-1 IN inhibitor.

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