119474-40-7

Usage

Uses

Used in Pharmaceutical Industry:
2,3,4-Trifluorophenyl isothiocyanate is used as a key intermediate in the synthesis of various pharmaceuticals. Its unique chemical structure allows for the development of new drugs with improved properties, such as enhanced efficacy, selectivity, and reduced side effects.
Used in Agrochemical Industry:
In the agrochemical industry, 2,3,4-trifluorophenyl isothiocyanate serves as a crucial building block for the creation of novel agrochemicals. These compounds can be used to develop more effective and environmentally friendly pesticides, herbicides, and other agricultural products.
Used as a Reagent in Organic Synthesis:
2,3,4-Trifluorophenyl isothiocyanate is also utilized as a reagent in organic synthesis, particularly in the preparation of isothiocyanates. Its presence in these reactions can lead to the formation of new compounds with potential applications in various fields, such as materials science, chemical research, and the development of new technologies.
Safety Precautions:
When handling and using 2,3,4-trifluorophenyl isothiocyanate, it is essential to use appropriate protective equipment and follow all safety guidelines. 2,3,4-TRIFLUOROPHENYL ISOTHIOCYANATE, when used properly, is relatively safe, but it is crucial to minimize exposure and ensure proper disposal to maintain a safe working environment.

InChI:InChI=1/C7H2F3NS/c8-4-1-2-5(11-3-12)7(10)6(4)9/h1-2H

Upstream product

• 75-15-0 carbon disulfide 
• 3862-73-5 2,3,4-trifluoroaniline 
• 463-71-8 thiophosgene 
• 16420-13-6 N,N-Dimethylthiocarbamoyl chloride 
• 119474-39-4 triethylammonium N-(2,3,4-trifluorophenyl)dithiocarbamate 

Downstream Products

• 354151-69-2 N,N'-Di(2,3,4-trifluorophenyl)thiourea 
• 354151-68-1 N-(2,3,4-Trifluorophenyl)-N'-(3,4-difluorophenyl)thiourea 
• 380304-58-5 1-(2-hydroxy-1,1-bis-hydroxymethyl-ethyl)-3-(2,3,4-trifluoro-phenyl)-thiourea 
• 851219-53-9 1-(2-hydroxy-ethyl)-3-(2,3,4-trifluoro-phenyl)-thiourea 
• 851219-55-1 1-(2-hydroxy-1,1-dimethyl-ethyl)-3-(2,3,4-trifluoro-phenyl)-thiourea 
• 1050542-54-5 C₁₆H₇F₃N₂OS₂ 
• 1040045-29-1 3-(2,3,4-trifluorophenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline 
• 1338781-04-6 1-(2-adamantyl)-3-(2,3,4-trifluorophenyl)thiourea 
• 119474-33-8 diethyl <(2,3,4-trifluoroanilino)<(4-methoxybenzyl)thio>methylene>malonate 
• 119474-34-9 ethyl 4-hydroxy-2-<(4-methoxybenzyl)thio>-6,7,8-trifluoroquinoline-3-carboxylate 
• 132305-67-0 9,1-methyliminomethano-7-fluoro-8-(4-methyl-1-piperazinyl)-5-oxo-5H-thiazolo<3,2-a>quinoline-4-carboxylic acid 

Relevant academic research and scientific papers

Pyrazolopyrimidines: Potent Inhibitors Targeting the Capsid of Rhino- and Enteroviruses

There are currently no drugs available for the treatment of enterovirus (EV)-induced acute and chronic diseases such as the common cold, meningitis, encephalitis, pneumonia, and myocarditis with or without consecutive dilated cardiomyopathy. Here, we report the discovery and characterization of pyrazolopyrimidines, a well-tolerated and potent class of novel EV inhibitors. The compounds inhibit the replication of a broad spectrum of EV in vitro with IC50 values between 0.04 and 0.64 μM for viruses resistant to pleconaril, a known capsid-binding inhibitor, without affecting cytochrome P450 enzyme activity. Using virological and genetics methods, the viral capsid was identified as the target of the most promising, orally bioavailable compound 3-(4-trifluoromethylphenyl)amino-6-phenylpyrazolo[3,4-d]pyrimidine-4-amine (OBR-5-340). Its prophylactic as well as therapeutic application was proved for coxsackievirus B3-induced chronic myocarditis in mice. The favorable pharmacokinetic, toxicological, and pharmacodynamics profile in mice renders OBR-5-340 a highly promising drug candidate, and the regulatory nonclinical program is ongoing. Curing the common cold! A cluster of pyrazolopyrimidines with potent broad-spectrum activity against enteroviruses was discovered. Extensive structure-property relationship analyses led to the identification of 3-(4-trifluoromethyl-phenyl)amino-6-phenylpyrazolo[3,4-d]pyrimidine-4-amine, shown to be a blocker of the viral capsid protein, as a lead compound for drug development with favorable physicochemical, pharmacokinetic, and toxicological properties.

Facile and versatile synthesis of alkyl and aryl isothiocyanates by using triphosgene and cosolvent

A mild and efficient method for the conversion of alkyl and aryl amines to isothiocyanates via dithiocarbamates has been developed using (CH 3)2CO-CS2 as co-solvent and triphosgene as dehydrosulfurization reagent. High yields, mild reaction conditions and excellent functional group compatibility make it become a versatile synthetic method for the preparation of isothiocyanates compared with reported methods. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications for the following free supplemental resource(s): Full experimental and spectral details.]

Synthesis and fungicidal activity of fluorine-containing phenylimino-thiazolidines derivatives

Nine new fluorine-containing phenylimino-thiazolidines derivatives were prepared. The structures of all compounds were confirmed by 1H NMR, mass and high resolution mass spectroscopy. The antifungicidal activities of the title compounds on Phytophthoza capsici L., Pyriculazia ozyzae C., Fusazium spp. at 100 ppm were screened.

Synthesis and fungicidal activity of fluorine-containing phenylimino-thiazolidines derivatives

Nine new fluorine-containing phenylimino-thiazolidines derivatives were prepared. The structures of all compounds were confirmed by 1H NMR, mass and high resolution mass spectroscopy. The antifungicidal activities of the title compounds on Phytophthora capsici L., Pyricularia oryzae C, Fusarium spp. at 100 ppm were screened.

Syntheses, structures and bioactivities of fluorine-containing phenylimino-thia(oxa)zolidine derivatives as agricultural bioregulators

From insight into the structure of trehazolin as trehalase inhibitor, six series of fluorine-containing phenylimino-thiazolidines (oxazolidines) derivatives were designed and prepared through a convenient synthesis of fluoroaryl isothiocyanate and a one-pot facile synthesis in high yield of fluorophenyl aminobenzoxazoles by cyclodesulfurization. The structures of the target compounds were confirmed with using IR, NMR, MS and elemental analysis. Their X-ray crystal analysis suggested that there were novel intermolecular (sp2CF?H3C) and intramolecular (sp 2CF?HN) hydrogen bonds between the fluorine atom on benzene ring and hydrogen atom of methyl group or amino group on five-membered heterocycle. Their fungicidal activities against Rhizoctonia solani and Pyricuraria oryzae at 100 ppm were determined. From insight into the structure of trehazolin as trehalase inhibitor, six series of fluorine-containing phenylimino-thiazolidines (oxazolidines) derivatives were designed and prepared through a convenient synthesis of fluoroaryl isothiocyanate and a one-pot facile synthesis in high yield of fluorophenyl aminobenzoxazoles by cyclodesulfurization. The structures of the target compounds were confirmed with using IR, NMR, MS and elemental analysis. Their X-ray crystal analysis suggested that there were novel intermolecular (sp2CF?H 3C) and intramolecular (sp2CF?HN) hydrogen bonds between the fluorine atom on benzene ring and hydrogen atom of methyl group or amino group on five-membered heterocycle. Their fungicidal activities against Rhizoctonia solani and Pyricuraria oryzae at 100 ppm were determined. fx1

Synthesis and quantitative structure - Activity relationships of fluorine-containing 4,4-dihydroxylmethyl-2-aryliminooxazo(thiazo)lidines as trehalase inhibitors

Five fluorine-containing 4,4-dihydroxylmethyl-2-aryliminooxazolidines and five 4,4-dihydroxylmethyl-2-aryliminothiazolidines were synthesized and evaluated for their inhibitory activity against trehalase in vitro. All these compounds were very readily synthesized compared with the natural trehalase inhibitors. They had moderate inhibitory activity toward trehalase, and showed larvicidal activity and inhibition action to insect flight. The steric parameters and semiempirical quantum parameters of these compounds were acquired by using the molecular modeling method and the PM3-SCF-MO method, respectively. A quantitative structure - activity relationship between half-inhibitory concentrations toward trehalase and the above parameters was established.

Studies on pyridonecarboxylic acids. III. Synthesis and antibacterial activity evaluation of 1,8-disubstituted 6-fluoro-4-oxo-7-piperazinyl-4H-[1,3]thiazeto[3,2-a] quinoline-3-carboxylic acid derivatives

A series of 1,8-disubstituted 6-fluoro-4-oxo-7-piperazinyl-4H-[1,3]thiazeto[3,2-a] quinoline-3-carboxylic acid derivatives was prepared and evaluated for antibacterial activity. In the 7-piperazinyl series, addition of a fluorine at C-8, which increased t

Synthesis and antibacterial activity of a new series of tetracyclic pyridone carboxylic acids

A series of novel tetracyclic pyridone carboxylic acids replacing the 10- position oxygen atom of 9,1-(epoxymethano)-7-fluoro-8-(4-methyl-1- piperazinyl)-5-oxo-5H-thiazolo[3,2-a]quinoline-4-carboxylic acid by imino groups (NR; R = Me, Et, c-Pr, allyl, Ph,

Derivatives of quinolinecarboxylic acid

Quinolinecarboxylic acid derivatives of the formula (I) STR1 and pharmaceutically acceptable salts thereof wherein R1 is hydrogen, straight or branch chain lower alkyl or phenyl unsubstituted or substituted by one or more halo moieties; R2