112055-34-2

Basic information

• Product Name: ETHYL 2-PHENYL-3-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXYLATE
• Synonyms: ETHYL 2-PHENYL-3-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXYLATE;ETHYL 5-(TRIFLUOROMETHYL)-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLATE;ETHYL 1-PHENYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLATE;BUTTPARK 46\18-19;1-Phenyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester;Ethyl2-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carBoxylate;Ethyl 2-phenyl-3-(trifluoromethyl)pyrazole-4-;1H-Pyrazole-4-carboxylic acid, 1-phenyl-5-(trifluoroMethyl)-, ethyl ester
• CAS NO: 112055-34-2
• Molecular Formula: C₁₃H₁₁F₃N₂O₂
• Molecular Weight: 284.23
• Mol File: 112055-34-2.mol

Chemical Properties

• Boiling Point: 122 °C
• Flash Point: 168.5 °C
• Appearance: /
• Density: 1.3g/cm³
• Vapor Pressure: 3.23E-05mmHg at 25°C
• Refractive Index: 1.524
• Storage Temp.: 2-8°C
• PKA: -5.86±0.10(Predicted)
• CAS DataBase Reference: ETHYL 2-PHENYL-3-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 2-PHENYL-3-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXYLATE(112055-34-2)
• EPA Substance Registry System: ETHYL 2-PHENYL-3-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXYLATE(112055-34-2)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• Hazardous Substances Data: 112055-34-2(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Synthesis:
ETHYL 2-PHENYL-3-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXYLATE is utilized as an intermediate in the synthesis of pharmaceuticals, contributing to the development of new drugs with potential therapeutic benefits.
Used in Agrochemical Production:
ETHYL 2-PHENYL-3-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXYLATE also serves as an intermediate in the production of agrochemicals, playing a role in the creation of substances that can protect crops and enhance agricultural productivity.
Used in Organic Chemistry Research:
ETHYL 2-PHENYL-3-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXYLATE is employed in organic chemistry research for its unique structural features, which can be explored for the synthesis of novel organic compounds and materials.
Used in Drug Discovery:
In the field of drug discovery, ETHYL 2-PHENYL-3-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXYLATE is valued for its potential to contribute to the identification and development of new therapeutic agents, particularly through its role as a building block in medicinal chemistry.
Used in Chemical Research and Development:
ETHYL 2-PHENYL-3-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXYLATE is an important compound with versatile potential in various fields of chemical research and development, including the synthesis of new compounds and the exploration of its properties for innovative applications.

InChI:InChI=1/C13H11F3N2O2/c1-2-20-12(19)10-8-17-18(11(10)13(14,15)16)9-6-4-3-5-7-9/h3-8H,2H2,1H3

Upstream product

• 571-55-1 ethyl 2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate 
• 59-88-1 phenylhydrazine hydrochloride 
• 372-31-6 ethyl 4,4,4-trifluoroacetoacetate 
• 100-63-0 phenylhydrazine 
• 122-51-0 orthoformic acid triethyl ester 

Downstream Products

• 98534-81-7 1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid 
• 175137-14-1 1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonyl chloride 
• 175137-32-3 1-phenyl-5-trifluoromethyl-1H-4-pyrazol hydrazide 
• 1307813-10-0 3-(1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)-7-vinyl-4,5-dihydronaphtho[1,2-c]isoxazole 

Relevant articles and documents

Antibacterial and Antifungal Activities of 2-(substituted ether)-5-(1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)-1,3,4-oxadiazole Derivatives

By replacing the amide bond into 1,3,4-oxadiazole moiety, a series of 1-phenyl-5-(trifluoromethyl)-1H-pyrazole derivatives bearing 1,3,4-oxadiazole were synthesized and evaluated their antibacterial and antifungal activity. The bioassay results revealed that compounds 7a and 7b showed the strongest antibacterial activity toward pathogen Xanthomonas oryzae pv. oryzae with the EC50 values of 15.0 and 6.4 μg/mL, respectively; compound 6a exhibited comprehensive antifungal activity toward six kinds of fungi; compound 6f could selectively inhibit the growth of Sclertinia sclerotiorum and Rhizoctonia solani with the inhibition rates of 82.5 and 80.3% at the concentrate of 100 μg/mL, respectively; compound 7b exerted good antifungal activity toward Fusarium oxysporum, Cytospora mandshurica, and Rhizoctonia solani with the inhibition rates of 70.8, 69.5, and 71.5%, respectively. The results suggested that this kind of compounds could be further studied as promising antimicrobial agents.

Design, synthesis and insecticidal activities of novel 1-substituted-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide derivatives

A series of novel 5-(trifluoromethyl)-1H-pyrazole-4-carboxamide derivatives (6a–6n, 7a, 7b, and 8a-8f) were synthesised by placing the amide bond at the 4-position of the pyrazole ring. These derivatives differed from the structure of chlorantraniliprole analogues with the amide bond at the 5-position of the pyrazole ring. Preliminary bioassay results revealed that a few title compounds exhibited good insecticidal activities against lepidopteran pests, such as Plutella xylostella, Mythimna separate, Heliothis armigera, and Ostrinia nubilalis. Some title compounds also elicited broad-spectrum insecticidal activities against dipterous insects including Culex pipiens pallens after altering the amide position. Similar to pyrazole-5-carboxamide analogues, compounds 6b and 6e showed 100% insecticidal activity against P. xylostella, C. pipiens pallens, and M. separate at concentrations of 200, 2, and 200?μg/mL, respectively. This finding suggested that 5-(trifluoromethyl)-1H-pyrazole-4-carboxamide derivatives are potential alternative insecticides for management of agriculture pests.

Synthesis and bioactivities of novel 2-(thioether/sulfone)-5-pyrazolyl-1,3,4-oxadiazole derivatives

By introducing the pyrazole moiety into the 5-position of 1,3,4-oxadiazole, a series of novel 2-(thioether/sulfone)-5-pyrazolyl-1,3,4-oxadiazole derivatives were synthesized. Preliminary bioassays suggested that target compounds exhibited appreciable activity against pathogenic bacteria Xanthomonas oryzae pv. oryzae (Xoo) and five phytopathogenic fungi in vitro. Among them, the half-maximal effective concentration (EC50) values of 6c, 7a, 7b and 7c against Xoo were within 16.6 μg/mL and 65.7 μg/mL, which were better than those of commercial agricultural antibacterial bismerthiazol (92.6 μg/mL) and thiodiazole copper (121.8 μg/mL). While compounds 7a, 7b, and 7c exerted comprehensive antifungal activity toward five plant fungi, which were comparable with that of hymexazol. The results demonstrated that this kind of compounds can be further studied and developed as promising antifungal and antibacterial agents.

Synthesis, Biological Evaluation, and 3D-QSAR Studies of N-(Substituted pyridine-4-yl)-1-(substituted phenyl)-5-trifluoromethyl-1 H-pyrazole-4-carboxamide Derivatives as Potential Succinate Dehydrogenase Inhibitors

A series of new fungicides that can inhibit the succinate dehydrogenase (SDH) was classified and named as SDH inhibitors by the Fungicide Resistance Action Committee in 2009. To develop more potential SDH inhibitors, we designed and synthesized a novel se

A 1, 3, 4 - oxa (thia) oxadiazolyl imidazole compound and its preparation and use

The invention relates to a 1, 3, 4 - oxa (thia) oxadiazolyl imidazole compound and its preparation and use. The compounds have the general formula (I) indicated by the structure: This compound to the plant pathogenic pathogenic bacteria, such as [...] Pha

PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS

Disclosed are compounds, compositions and methods for treating of diseases, syndromes, conditions, and disorders that are affected by the modulation of MALT 1. Such compounds are represented by Formula (I) as follows: wherein R1, R2, R3, R4, R5, and G, are defined herein.

1 - Substituted - 5 - trifluoromethyl - 4 - the pyrazole is joint 1, 3, 4 - oxadiazole thioether or sulfones derivatives and use thereof

The invention discloses a kind of 1-substituted-5-trifluoromethyl-4-pyrazol-1,3,4-oxadiazole thioether or sulfone derivatives and application of the derivatives. The derivatives have the structures represented by general formulae A and B shown in the specification. 1-substituted-5-trifluoromethyl-4-pyrazol-1,3,4-oxadiazole compounds are synthesized from ethyl trifluoroacetoacetate by the following five reactions: esterification, ring closure, hydrazinolysis, ring closure and substitution. The compounds have certain inhibition effects to plant bacterial diseases or plant fungous diseases and can be used as pesticides and pesticide additives for preventing and controlling the plant bacterial diseases or the plant fungous diseases.

Method for synthesizing 1-substituted phenyl-5-trifluoromethyl (difluoromethyl)-4-pyrazole carboxylic acid

The invention relates to a method for synthesizing 1-substituted phenyl-5-trifluoromethyl (difluoromethyl)-4-pyrazole carboxylic acid. The method is as follows: performing a ring-forming reaction of phenylhydrazine or substituted phenylhydrazine with inte

Aromatic imide compounds and preparation method and application thereof

The invention discloses aromatic imide derivatives with the chemical structure shown as the general formula (I) and a preparation method and anticancer activity thereof. R1 and R2 are defined in the specification. Part of the compounds have good anticance

Inhibitors of 15-hydroxyprostaglandin dehydrogenase for stimulating pigmentation of the skin or skin appendages

Inhibitors of 15-hydroxyprostaglandin dehydrogenase (15-PGDH), for example tetrazole, styrylpyrazole, phenylfuran, phenylthiophene, phenylpyrrazole, pyrazolecarboxamide, 2-thioacetamide and azo compounds, are useful for promoting or stimulating pigmentati