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
• Article Data: 11

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

General Description

ETHYL 2-PHENYL-3-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXYLATE is a chemical compound with the molecular formula C14H11F3N2O2. It is a pyrazole derivative with a phenyl group and a trifluoromethyl group attached to the pyrazole ring. ETHYL 2-PHENYL-3-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXYLATE is often used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. It may also have potential applications in the field of organic chemistry and drug discovery.ETHYL 2-PHENYL-3-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXYLATE is an important compound with versatile potential in various fields of chemical research and development.

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

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

Downstream Products

• 175137-14-1 1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonyl chloride 
• 175137-32-3 1-phenyl-5-trifluoromethyl-1H-4-pyrazol hydrazide 

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.

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.

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.