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

Description

2-METHYL-4-(TRIFLUOROMETHYL)-1,3-THIAZOLE-5-CARBOXYLIC ACID is an organic compound characterized by its thiazole ring structure with a methyl and trifluoromethyl substituent. It is known for its potential applications in various chemical and pharmaceutical industries due to its unique chemical properties.

Uses

Used in Agricultural Industry:
2-METHYL-4-(TRIFLUOROMETHYL)-1,3-THIAZOLE-5-CARBOXYLIC ACID is used as an active ingredient for the preparation of fungicidal mixtures. It serves to protect crops from fungal infections and diseases, ensuring a healthy and productive agricultural yield.
Used in Pharmaceutical Industry:
2-METHYL-4-(TRIFLUOROMETHYL)-1,3-THIAZOLE-5-CARBOXYLIC ACID is used as a key intermediate in the synthesis of various pharmaceutical compounds. Its unique structure allows it to be a versatile building block for the development of new drugs with potential therapeutic applications.
Used in Chemical Synthesis:
2-METHYL-4-(TRIFLUOROMETHYL)-1,3-THIAZOLE-5-CARBOXYLIC ACID is used as a starting material in the synthesis of various organic compounds. Its reactivity and functional groups make it a valuable component in the creation of new chemical entities for research and industrial applications.

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

Upstream product

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

Downstream Products

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

Relevant articles and documents

Synthesis and Insecticidal Activity of Novel Thiazole Acrylonitrile Derivatives

A series of novel thiazole acrylonitrile derivatives was designed and synthesized utilizing NC-510 as a precursor. Their structures were characterized by NMR spectrometry, MS, and elemental analysis. The results of bioassay indicated that some of these ti

Preparation method for 2-methyl-4-trifluoromethyl-5-febuxostat

The invention belongs to the technical field of fungicide pesticides production, and particularly relates to a preparation method of fungicide thiamethoxam cefuroxime amide intermediate2-methyl-4-trifluoromethyl-5-febuxostat. The method uses Chlorinated trifluoro ethyl acetoacetate and thioacetamide as the raw material, tripropylamine or tributylamine as acid-binding agent, after chaining, cyclization, hydrolysis and acidification to obtain the 2-methyl-4-trifluoromethyl-5-febuxostat. The present invention uses high boiling point organic alkali acid agent, to increase the stability of industrial production, to increase content, yield, and to lower the production cost, meanwhile the present invention simplifies production operation, prepares high content of 2-methyl-4-trifluoromethyl-5-febuxostat (>=95%); the yield is high (>=90%) (calculated by Chlorinated trifluoro ethyl acetoacetate ).

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).