| Identification | Back Directory | [Name]
2-METHYL-4-(TRIFLUOROMETHYL)-1,3-THIAZOLE-5-CARBOXYLIC ACID | [CAS]
117724-63-7 | [Synonyms]
-4-(trifL
e-5-carboxyL
2-Methyl-4-(trifluoromethyl)
5-Carboxy-2-methyl-4-(trifluoromethyl)-1,3-thiazole
2-Methyl-4-(trifluoromethyl)thiazole-5-carboxylicaci
2-methyl-4-(trifluoromethyl)- 5-Thiazolecarboxylic acid
5-Thiazolecarboxylic acid, 2-Methyl-4-(trifluoroMethyl)- | [EINECS(EC#)]
809-864-0 | [Molecular Formula]
C6H4F3NO2S | [MDL Number]
MFCD00173295
| [MOL File]
117724-63-7.mol | [Molecular Weight]
211.16 |
| Chemical Properties | Back Directory | [Melting point ]
186～187℃ | [Boiling point ]
285.5±40.0 °C(Predicted) | [density ]
1.570±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [pka]
1.97±0.36(Predicted) | [color ]
White to Light yellow to Light orange | [InChI]
InChI=1S/C6H4F3NO2S/c1-2-10-4(6(7,8)9)3(13-2)5(11)12/h1H3,(H,11,12) | [InChIKey]
REKJPVUFKQYMHW-UHFFFAOYSA-N | [SMILES]
S1C(C(O)=O)=C(C(F)(F)F)N=C1C |
| Hazard Information | Back Directory | [Uses]
2-Methyl-4-(trifluoromethyl)thiazole-5-carboxylic Acid can be used to prepare a fungicidal mixture. | [Synthesis]
General procedure for the synthesis of 2-methyl-4-(trifluoromethyl)thiazole-5-carboxylic acid from ethyl 2-methyl-4-trifluoromethyl-5-thiazolecarboxylate: 115 g of ethyl 2-methyl-4-(trifluoromethyl)thiazole-5-carboxylate (0.102 mol) was dissolved in ethyl acetate at room temperature, and 50 g of 40% sodium hydroxide solution was added dropwise slowly into a reaction vessel with controlled The acceleration of the drop was controlled to maintain the temperature of the reaction system below 40 °C. After the dropwise addition, the reaction temperature was maintained and stirring was continued for 60 minutes. After the reaction was completed, the organic phase was separated and 10% hydrochloric acid solution was slowly added to the organic phase to adjust the pH value of the system to ≤2, at which time a large amount of solid precipitate precipitated. The precipitate was filtered and the filter cake was washed twice with 10% hydrochloric acid solution and subsequently dried in a vacuum oven. The resulting 2-methyl-4-(trifluoromethyl)thiazole-5-carboxylic acid was a light yellow solid with a yield of 21.5 g, a purity of 98.8% and a reaction yield of 98.70%. | [References]
[1] Journal of Fluorine Chemistry, 2004, vol. 125, # 9, p. 1287 - 1290
[2] Patent: US4837242, 1989, A
[3] Patent: CN103145639, 2016, B. Location in patent: Paragraph 0035; 0036; 0037
[4] Journal of Heterocyclic Chemistry, 2017, vol. 54, # 6, p. 3395 - 3402 |
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