117724-63-7

Basic information

• Product Name: 2-METHYL-4-(TRIFLUOROMETHYL)-1,3-THIAZOLE-5-CARBOXYLIC ACID
• Synonyms: 2-Methyl-4-(trifluoromethyl);5-Carboxy-2-methyl-4-(trifluoromethyl)-1,3-thiazole;5-Thiazolecarboxylic acid, 2-Methyl-4-(trifluoroMethyl)-
• CAS NO: 117724-63-7
• Molecular Formula: C₆H₄F₃NO₂S
• Molecular Weight: 211.16
• EINECS: 1312995-182-4
• Product Categories: Building Blocks;Thiazole
• Mol File: 117724-63-7.mol
• Article Data: 9

Chemical Properties

• Melting Point: 186～187℃
• Boiling Point: 285.5 °C at 760 mmHg
• Flash Point: 126.5 °C
• Appearance: /
• Density: 1.57 g/cm³
• Vapor Pressure: 0.0013mmHg at 25°C
• Refractive Index: 1.498
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility: soluble in Methanol
• PKA: 1.97±0.36(Predicted)
• CAS DataBase Reference: 2-METHYL-4-(TRIFLUOROMETHYL)-1,3-THIAZOLE-5-CARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-METHYL-4-(TRIFLUOROMETHYL)-1,3-THIAZOLE-5-CARBOXYLIC ACID(117724-63-7)
• EPA Substance Registry System: 2-METHYL-4-(TRIFLUOROMETHYL)-1,3-THIAZOLE-5-CARBOXYLIC ACID(117724-63-7)

Safety Data

• Hazardous Substances Data: 117724-63-7(Hazardous Substances Data)

Usage

Uses

2-Methyl-4-(trifluoromethyl)thiazole-5-carboxylic Acid can be used to prepare a fungicidal mixture.

InChI:InChI=1/C6H4F3NO2S/c1-2-10-4(6(7,8)9)3(13-2)5(11)12/h1H3,(H,11,12)

Upstream product

• 117724-62-6 ethyl 2-methyl-4-(trifluoromethyl)thiazole-5-carboxylate 
• 363-58-6 ethyl 2-chloro-4,4,4-trifluoro-3-oxobutanoate 
• 62-55-5 thioacetamide 
• 372-31-6 ethyl 4,4,4-trifluoroacetoacetate 
• 75-05-8 acetonitrile 
• 196698-26-7 ethyl 2,2-dichloro-4,4,4-trifluoro-3-oxobutanoate 

Downstream Products

• 915416-41-0 2-methyl-4-trifluoromethylthiazol-5-carboxylic acid (3',4',5'-trifluorobiphenyl-2-yl)amide 
• 942312-61-0 N-[5-(3,4-dichlorophenyl)-4-pyrimidinyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide 
• 877168-97-3 N-(4'-chloro-3',5-difluorobiphenyl-2-yl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide 
• 130000-40-7 thifluzamide 
• 1000339-72-9 (2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl)methanol 

Relevant articles and documents

A 2 - methyl - 4 - trifluoromethyl-thiazole - 5 - carboxylic acid

The invention discloses a method of preparing 2-methyl-4-trifluoromethylthiazole-5-carboxylic acid through the following steps: chlorinating ethyl trifluoroacetoacetate with chloride sulfate, cyclizing with thioacetamide in absolute ethyl alcohol, and hydrolyzing in a manner of one-pot manner, wherein the obtained product is an intermediate of a bactericide thifluzamide, thus having good application prospects. The method has the characteristics that three-step reaction one-pot method is adopted, the operation is simple, a solvent applied in the cyclization reaction is non-toxic, the recovery rate is high, the product yield is high, the quality is good and the like, and the method has good industrial prospects.

Optimization process for synthesis of 2-methyl-4-trifluoromethyl-1,3-thiazole-5-carboxylic acid

The invention relates to an optimization process of an intermediate 2-methyl-4-trifluoromethyl-1,3-thiazole-5-carboxylic acid, and belongs to the technical field of chemistry. The invention discloses the optimization process of preparation of 2-methyl-4-trifluoromethyl-1,3-thiazole-5-carboxylic acid. Ethyl 4,4,4-trifluoroacetoacetate and acetonitrile are used as raw materials, in a condition with existence of a catalyst, chlorination and cyclization reactions are carried out simultaneously with chlorine and hydrogen sulfide, and alkaline hydrolysis and acidification are carried out in order to obtain 2-methyl-4-trifluoromethyl-1,3-thiazole-5-carboxylic acid. The process is advantageous in that traditional chlorination and cyclization are carried out at the same time, process steps and time are reduced, operation is simple, and production cost is reduced.

2-methyl-4-(trifluoromethyl) thiazol-5-carboxylic acid

The invention discloses a method for preparing 2-methyl-4-(trifluoromethyl)thiazole-5-formyl acid. The method comprises the steps of synthesizing 2-bromo-trifluoro-ethyl acetoacetate and 2,2-dibromo-trifluoro-ethyl acetoacetate by reacting trifluoro ethyl acetoacetate with liquid bromine by using trifluoro ethyl acetoacetate as a raw material; then preparing ethyl acetoacetate of 2-methyl-4-(trifluoromethyl)thiazol-5-ethyl formate by reacting with an inert organic solvent solution of thioacetamide; and finally obtaining 2-methyl-4-(trifluoromethyl)thiazole-5-formyl acid by a hydrolysis reaction. The method has the advantages of novel raw materials and route, mild reaction conditions, simple operations, relatively high raw material conversion rate and product selectivity, convenient separation of target products, etc. The prepared 2-methyl-4-(trifluoromethyl)thiazole-5-formyl acid can be used for synthesizing a key intermediate of thiazole amide fungicides (thifluzamide).