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117724-63-7

117724-63-7 Structure

117724-63-7 Structure
IdentificationBack 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 PropertiesBack 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
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
[HS Code ]

2934100090
Hazard InformationBack Directory
[Uses]

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

ETHYL 4-(TRIFLUOROMETHYL)-2-METHYLTHIAZOLE-5-CARBOXYLATE

117724-62-6

2-METHYL-4-(TRIFLUOROMETHYL)-1,3-THIAZOLE-5-CARBOXYLIC ACID

117724-63-7

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
Spectrum DetailBack Directory
[Spectrum Detail]

2-METHYL-4-(TRIFLUOROMETHYL)-1,3-THIAZOLE-5-CARBOXYLIC ACID(117724-63-7)1HNMR
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