126674-98-4

Usage

InChI:InChI=1/C6H4ClF3N2O/c1-12-2-3(5(7)13)4(11-12)6(8,9)10/h2H,1H3

Upstream product

• 571-55-1 ethyl 2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate 
• 111493-74-4 ethyl 3-(trifluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate 
• 155377-19-8 ethyl 3-trifluoromethyl-1H-pyrazole-4-carboxylate 
• 113100-53-1 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid 

Downstream Products

• 872121-53-4 1-methyl-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid (3',4'-dichlorobiphenyl-2-yl)-amide 
• 920002-89-7 1-Methyl-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid [3-(2-oxo-2,3-dihydro-1H-indole-6-carbonyl)-phenyl]-amide 
• 918886-11-0 1-methyl-3-trifluoromethyl-N-(ortho-(3,5-dichlorophenyl)phenyl)-pyrazole-4-carboxamide 
• 872121-58-9 N-(ortho-(2,5-difluorophenyl)phenyl)-1-methyl-3-trifluoromethylpyrazole-4-carboxamide 
• 957791-52-5 ethyl (E)-2-[(1-methyl-3-trifluoromethyl-1H-pyrazole-4-carbonyl)amino]-3,5-diphenylpent-4-enoate 
• 1211915-79-5 1-methyl-N-(2-phenyl-3-furyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide 
• 1211915-80-8 N-(2-(4-chlorophenyl)-3-furyl)-1-methyl-3-(trifluoromethyl)-1H-pyrrazole-4-carboxamide 
• 477709-06-1 1-methyl-N-(4-methylpyridin-2-yl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide 
• 937717-66-3 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide 

Relevant academic research and scientific papers

N-Ammonium Ylide Mediators for Electrochemical C-H Oxidation

The site-specific oxidation of strong C(sp3)-H bonds is of uncontested utility in organic synthesis. From simplifying access to metabolites and late-stage diversification of lead compounds to truncating retrosynthetic plans, there is a growing need for new reagents and methods for achieving such a transformation in both academic and industrial circles. One main drawback of current chemical reagents is the lack of diversity with regard to structure and reactivity that prevents a combinatorial approach for rapid screening to be employed. In that regard, directed evolution still holds the greatest promise for achieving complex C-H oxidations in a variety of complex settings. Herein we present a rationally designed platform that provides a step toward this challenge using N-ammonium ylides as electrochemically driven oxidants for site-specific, chemoselective C(sp3)-H oxidation. By taking a first-principles approach guided by computation, these new mediators were identified and rapidly expanded into a library using ubiquitous building blocks and trivial synthesis techniques. The ylide-based approach to C-H oxidation exhibits tunable selectivity that is often exclusive to this class of oxidants and can be applied to real-world problems in the agricultural and pharmaceutical sectors.

Preparation method and application of -4- (S)-2-(1H- pyrazolecarboxamide)-P-methylbenzoate compound as well as preparation method and application thereof (by machine translation)

The invention discloses (S)- 2 - (1 a system. H-pyrazol-4 (propyl-formamide)-based) propyl benzoate compound as well as preparation method, (S)- 2 - (1 and application thereofHThe structural formula of the-pyrazol-4-formamide)-based ethyl (I) benzoate compound is shown in a formula shown: in the specification. Substituent groups R in the (I) formula (No.No. STR3No.No., No.No. STR7No.No.No.). 1 The number of substituents on the, phenyl ring, which is a phenyl group or a substituted phenyl group, is, each independently selected from the group consisting of one, C1 - C4 or, more, C1 - C4 substituents, C1 - C3 each; of which R is independently selected from the group consisting of a halogen atom, an alkyl group, an alkyl group, an alkyl group, and a substituted phenyl group. 2 The preparation method of the novel compound with the. bactericidal activity is simple, and the compound obtained by the method, disclosed by the invention, is simple, in preparation method, 50mg/mL and the compound obtained by, the method disclosed by the invention has a good inhibition activity on. cucumber Botrytis cinerea and pathogenic bacteria such as cucumbers. (by machine translation)

Pyrazole compound, salt and uses thereof,

The invention discloses a pyrazole compound and a salt thereof, wherein the structural formula of the pyrazole compound is represented by a formula (I). According to the invention, the pyrazole compound has good prevention and control effect on various gr

Novel trifluoromethylpyrazole acyl thiourea derivatives: Synthesis, antifungal activity and docking study

Background: In recent years, pyrazole carboxamide derivatives possessed excellent fungicidal activity. In the process of designing new fungicides, the carboxamide group was modified in order to find novel structure pyrazole carboxamide derivatives. Methods: Ten novel trifluoromethyl pyrazole acyl thiourea derivatives were designed and synthesized. In vivo fungicidal activities of these compounds were tested against Fusarium oxysporum, Corynespora mazei and Botrytis cinerea, respectively Results: Particularly compounds exhibited significant control effective at 100 mg/L. More importantly, some compounds showed the good control effective at 10 mg/L. Furthermore, docking was established to study the structure-activity relationship of the title compounds. Conclusion: It is possible that trifluoromethylpyrazole acyl thiurea derivatives, which possess good control effective against Botrytis cinerea, may become novel lead compounds for the development of fungicides with further structure modification.

(1H-pyrazole-4-carboxamido) ethyl benzoate compound as well as preparation method and application thereof

The invention discloses an ethyl (1H-pyrazole-4-carboxamido) benzoate compound as well as a preparation method and application thereof. The structural formula of the (1H-pyrazole-4-carboxamido) ethylbenzoate compound is as shown in the formula (I), wherein the substituent groups R1 are phenyl or substituted phenyl, the number of substituent groups on a benzene ring of the substituted phenyl is one or more, and each substituent group is independently selected from H, halogen, C1-C4 alkyl, C1-C4 alkoxy, C1-C3 halogenated alkyl or nitro; and the substituent R2 is methyl, monofluoromethyl, difluoromethyl or trifluoromethyl. The invention discloses a novel compound with bactericidal activity, which is simple in preparation method and convenient to operate, and the obtained compound has betterinhibitory activity on pathogenic bacteria such as cucumber botrytis cinerea, fusarium oxysporum, cucumber corynespora leaf spot and the like under the concentration of 50 mg/mL.

Naphthalimide and quinoline derivatives as inhibitors for insect N-acetyl-β-D-hexosaminidase

Insect chitinolytic β-N-acetyl-D-hexosaminidase, such as OfHex1 from Ostrinia furnacalis, is a potential target for insecticide design. Among the known OfHex1 inhibitors, Q2 is of great interest because it is the first non-carbohydrate inhibitor. In this study, we designed and synthesized a series of Q2 derivatives by replacing the thiadiazole and naphthalimide groups and changing the linker length. Compound 3m showed the best inhibitory activity with a Ki value of 0.34 μmol/L against OfHex1, which is about one-quarter that of Q2 (Ki = 1.4 μmol/L). Compound 6a showed the best inhibitory activity among the quinoline-containing derivatives (Ki = 2.3 μmol/L). Molecular docking indicated that although 3m, 6a, and Q2 binding the active pocket of OfHex1 in similar mode, compound 3m engaged better than the other compounds in intermolecular interaction with OfHex1.

Novel trifluoromethylpyrazole acyl urea derivatives: Synthesis, crystal structure, fungicidal activity and docking study

Thirteen novel trifluoromethylpyrazole acyl urea derivatives were designed and synthesized. In vivo fungicidal activities of these compounds were tested against Fusarium oxysporum, Corynespora mazei, Botrytis cinerea and Pseudomonas syringae respectively, particularly compounds exhibited significant control effective at 100 mg/L. More importantly, some compounds showed the good control effective at 10 mg/L. Furthermore, docking was established to study the structure-activity relationship of the title compounds. It is possible that trifluoromethylpyrazole acyl urea derivatives, which possess good control effective against Fusarium oxysporum, Corynespora mazei and Botrytis cinerea, may become novel lead compounds for the development of fungicides with further structure modification.

1-methyl-3-trifluoromethyl-1H-pyrazol-4-amide derivative as well as preparation method and application thereof

The invention discloses a 1-methyl-3-trifluoromethyl-1H-pyrazol-4-amide derivative as well as a preparation method and application thereof. Ethyl trifluoroacetoacetate and triethyl orthoformate are subjected to reflux in acetic anhydride; then, the materials are added into methyl hydrazine to prepare ethyl 1-methyl-3-trifluoromethyl-1H-pyrazol-4-formate; the ethyl 1-methyl-3-trifluoromethyl-1H-pyrazol-4-formate is hydrolyzed; then, hydrochloric acid is added to prepare 1-methyl-3-trifluoromethyl-1H-pyrazol-4-carboxylic acid; after the 1-methyl-3-trifluoromethyl-1H-pyrazol-4-carboxylic acid reacts with thionyl chloride, methylene dichloride is added for dilution; alkarylamine and triethylamine are added for preparing the 1-methyl-3-trifluoromethyl-1H-pyrazol-4-amide derivative. The preparation method is simple; the operation is convenient; the obtained compound has the best inhibition activity on peanut cercospora arachidicola and sclerotinia sclerotiorum at 50ppm; the inhibition rate respectively reaches 96 percent and 100 percent; the inhibition rate on the physalospora piricola is high; the inhibition rate is not less than 10 percent higher than the control medicine bacterium inhibition rate; the foundation is laid for new pesticide invention and development.

Application of 1-methyl-3-trifluoromethyl-1H-pyrazole-4-amide derivative in preparation of herbicides

The invention discloses application of a 1-methyl-3-trifluoromethyl-1H-pyrazole-4-amide derivative in preparation of herbicides. The seeds of lettuce and agrostis are taken as the test objects, beforebiological determination, a 5-10% Chlorox solution is employed for surface sterilization on the seeds for 10min, and then the deionized water of a Millipore system is utilized for flushing thoroughly, air drying is carried out in a sterile environment, and during sample treatment, all samples adopt acetone as the solvent to prepare a solution with a concentration of 1mM, and then biological determination is carried out to conclude that the compound tested in the invention shows good inhibition on lettuce and agrostis. The compound provided by the invention is a new compound with herbicidal activity, and provides the basis for the research and development of new pesticides.

Containing 1 - methyl - 3 - trifluoromethyl - 1 H - pyrazole structure of acyl thiourea compound and its preparation method and application (by machine translation)

The invention discloses a containing 1 - methyl - 3 - trifluoromethyl - 1 H - pyrazole acyl thiourea compound and its preparation method and application. It first of all in order to trifluoro acetyl ethyl acetate and ethyl trimethyl orthoformate and methyl hydrazine as raw material synthesis 1 - methyl - (trifluoromethyl) - 1 H - pyrazole - 4 - carboxylic acid, the latter acid radical chloride to obtain 1 - methyl - (trifluoromethyl) - 1 H - pyrazole - 4 - formyl chloride, potassium cyanide and subsequently and sulfur substituted aniline reaction to obtain the final product (I). Its raw material is simple and easy, simple preparation method, after treatment is convenient, high product yield, but the compound as having anti-fungal activity, in particular against cucumber, cucumber bacterial angle the blood, cucumber gray mold and cucumber leafspot has good sterilization effect, to provide the basis for a new pesticide research. (by machine translation)