111493-74-4

Basic information

• Product Name: ETHYL 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLATE
• Synonyms: ETHYL 1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXYLATE;ETHYL 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLATE;BUTTPARK 82\18-63;Ethyl 1-methyl-3-(trifluoromethyl)pyrazole-4-;Ethyl 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate ,95%;1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid ethyl ester;Ethyl 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate ,97%;4-(Ethoxycarbonyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole
• CAS NO: 111493-74-4
• Molecular Formula: C₈H₉F₃N₂O₂
• Molecular Weight: 222.16
• Product Categories: Building Blocks;Pyrazole
• Mol File: 111493-74-4.mol

Chemical Properties

• Melting Point: 60-61°C
• Boiling Point: 267.4 °C at 760 mmHg
• Flash Point: 115.5 °C
• Appearance: /
• Density: 1.35 g/cm³
• Vapor Pressure: 0.00816mmHg at 25°C
• Refractive Index: 1.469
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: -2.85±0.10(Predicted)
• CAS DataBase Reference: ETHYL 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLATE(111493-74-4)
• EPA Substance Registry System: ETHYL 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLATE(111493-74-4)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• HazardClass: IRRITANT
• Hazardous Substances Data: 111493-74-4(Hazardous Substances Data)

Usage

Chemical Properties

White solid

InChI:InChI=1/C8H9F3N2O2/c1-3-15-7(14)5-4-13(2)12-6(5)8(9,10)11/h4H,3H2,1-2H3

Upstream product

• 60-34-4 methylhydrazine 
• 571-55-1 ethyl 2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate 
• 231285-86-2 ethyl 5-(trifluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate 
• 6939-12-4 N-methylsydnone 
• 79424-03-6 ethyl 4,4,4-trifluoro-2-butynate 
• 50-00-0 formaldehyd 
• 372-31-6 ethyl 4,4,4-trifluoroacetoacetate 

Downstream Products

• 540468-96-0 (1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanol 
• 113100-53-1 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid 
• 477709-06-1 1-methyl-N-(4-methylpyridin-2-yl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide 
• 126674-98-4 1-methyl-3-trifluoromethyl-1H-pyrazole-4-carbonyl chloride 
• 119083-00-0 1-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid 
• 937717-66-3 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide 

Relevant articles and documents

PRODUCING METHOD FOR 3-DIFLUOROMETHYLPYRAZOLE COMPOUND, PRODUCING METHOD FOR 3-DIFLUOROMETHYLPYRAZOLE-4-CARBOXYLIC ACID COMPOUND, AND PYRAZOLIDINE COMPOUND

Provided are producing methods for a 3-difluoromethylpyrazole compound and a 3-difluoromethylpyrazole-4-carboxylic acid compound, which include, in a reaction solvent containing a specific solvent, subjecting a difluoroacetyl group-containing compound, a hydrazine compound, and formaldehyde to a cyclocondensation reaction, and subsequently oxidizing the obtained pyrazole compound precursor, and a pyrazolidine compound represented by a specific formula in these producing methods.

METHOD FOR PRODUCING 1-SUBSTITUTED-3-FLUOROALKYLPYRAZOLE-4-CARBOXYLIC ACID ESTER

The present invention is a method for producing a 1-substituted-3-fluoroalkylpyrazole-4-caroxylic acid ester, the method comprising a step of adding, to a first reaction liquid containing an alkyl hydrazine and a first organic solvent, a second reaction liquid containing an acyl acetic acid ester derivative and a second organic solvent in 0.5 to 30 hours to react the first reaction liquid with the second reaction liquid at a reaction temperature of -5 to 80°C under stirring in the absence of a base and an acid, wherein the first organic solvent and the second organic solvent are each at least any one of benzene, toluene, xylene, chlorobenzene, dichlorobenzene, ethyl acetate, butyl acetate, and dimethyl carbonate, a total mass of the first organic solvent and the second organic solvent is 1 to 60 times a mass of the acyl acetic acid ester derivative, and an amount of the first organic solvent in a total amount of the first organic solvent and the second organic solvent is 40 to 95% by mass.

PROCESS FOR THE REGIOSELECTIVE SYNTHESIS OF PYRAZOLES

A process is described for the synthesis of pyrazoles having general formula (I) which comprises the steps of mixing a compound having general formula (II) and a 1,2-disubstituted hydrazine having general formula (III) to form a reaction intermediate having general formula (IV) and the reaction mixture obtained in step i), in an acid environment, cyclizes to form a pyrazole having general formula (I), according to reaction scheme 1 Scheme 1.

SUBSTITUTED BICYCLOCARBOXYAMIDE COMPOUNDS

This invention provides a compound of the formula (I). These compounds are useful for the treatment of disease conditions caused by overactivation of the VR1 receptor such as pain, or the like in mammal. This invention also provides a pharmaceutical composition comprising the above compound.

METHOD FOR PRODUCING 1-SUBSTITUTED-3-FLUOROALKYL PYRAZOLE-4-CARBOXYLATE

In a process for producing 1-substituted-3-fluoroalkyl-pyrazole-4-carboxylate (3) by a reaction of 2-alkoxymethylenefluoroacylacetate (1) and hydrazine (2), the reaction is conducted in the presence of a base and water, to produce 1-substituted-3-fluoroalkylpyrazole-4-carboxylate (3) with high selectivity and yield. This novel process enables to produce 1-substituted-3-fluoroalkylpyrazole-4-carboxylate (3), which is useful as an intermediate for pharmaceuticals and agrochemicals, with high selectivity and yield by simple and safe operations.

NOVEL HERBICIDES

Compounds of formula I: wherein R1, R2, R3, R4, m, R5, R6, n and Y are as defined in claim 1; or N-oxides, salts and optical isomers thereof. Furthermore, the present invention relates to processes for preparing compounds of formula (I), to herbicidal compositions comprising them and to methods of using them to control plants or to inhibit plant growth.

ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES

Compounds of formula (I) wherein the substituents are as defined in claim 1, are suitable for use as herbicides. Also claimed is a process for the preparation of compounds of the formula I, wherein m is 2 and n is 1, and the other substituents are defined as in claim 1, formula (Ia) by reacting a compound of the formula Ia in a single step or stepwise in succession with compounds of the formula R5-X and/or R6-X, wherein R5 and R6 are as defined in claim 1, and X is a leaving group, and a process for the preparation of compounds of the formula I, wherein R6 is C1--C10alkyl or halogen, m is 2 and n is 1, and the other substituents are defined as in claim 1, formula (Ib) by reacting a compound of the formula 1b with a compound of the formula R5-X, wherein R5 is as defined in claim 1, and X is a leaving group, and a process for the preparation of compounds of the formula I, wherein R5 is chlorine, bromine or iodine, m is 1 or 2, and n is 1, and the other substituents are defined as in claim 1, formula (Ic) by reacting a compound of the formula le with an N- halosuccinimide and an oxidising agent.

METHOD FOR PRODUCING 1-SUBSTITUTED-3-FLUOROALKYL PYRAZOLE-4-CARBOXYLATE

Disclosed is a method for producing 1-substituted-3-fluoroalkyl pyrazole-4-carboxylate (3) through a reaction between 2-alkoxymethylene fluoroacyl acetate (1) and a hydrazine (2). By performing the reaction in the presence of a base and water, 1-substituted-3-fluoroalkyl pyrazole-4- carboxylate (3) can be highly selectively produced with high yield. This novel method enables to highly selectively produce 1-substituted-3-fluoroalkyl pyrazole-4- carboxylate (3), which is useful as an intermediate for pharmaceutical and agrichemical products, with high yield by simple and safe operations.

Carboxanilides, their preparation and compositions containing them for controlling harmful fungi

Carboxanilides of the formula I where the substituents have the following meanings: R is substituted or unsubstituted alkyl, alkoxy, alkenyl, alkenyloxy, alkynyl, alkynyloxy, cycloalkyl, cycloalkenyl, cycloalkyloxy, cycloalkenyloxy or phenyl; A is one of the radicals A1 to A5 STR1 where R1 is hydrogen or alkyl; R2 is halogen or alkyl; R3 is alkyl or haloalkyl; n is 1 or 2, methods of manufacturing them, and agents containing them and their use for controlling harmful fungi.