1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
- Product Name
- 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
- CAS No.
- 113100-53-1
- Chemical Name
- 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
- Synonyms
- -3-(trifL;)-1H-pyrazoL;BUTTPARK 99\18-24;1H-Pyrazole-4-carboxylic acid, 1-methyl-3-;1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxy;4-Carboxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole;1-Methyl-3-trifluoromethyl-4-pyrazolecarboxylic Acid;1-METHYL-3-TRIFLUOROMETHYLPYRAZOLE-4-CARBOXYLIC ACID;2-Methyl-5-trifluoromethyl-2H-pyrazole-3-carbonylchloride;1-Methyl-3-(trifluoromethyl)-1H-pyrazol-4-carboxylic acid
- CBNumber
- CB5768709
- Molecular Formula
- C6H5F3N2O2
- Formula Weight
- 194.11
- MOL File
- 113100-53-1.mol
1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID Property
- Melting point:
- 203 °C
- Boiling point:
- 285.6±40.0 °C(Predicted)
- Density
- 1.56±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 2.93±0.36(Predicted)
- color
- White to Off-White
- InChI
- InChI=1S/C6H5F3N2O2/c1-11-2-3(5(12)13)4(10-11)6(7,8)9/h2H,1H3,(H,12,13)
- InChIKey
- FZNKJQNEJGXCJH-UHFFFAOYSA-N
- SMILES
- N1(C)C=C(C(O)=O)C(C(F)(F)F)=N1
Safety
- Hazard Codes
- Xi
- Risk Statements
- 36/37/38
- Safety Statements
- 26-36/37/39-24/25
- WGK Germany
- 2
- HazardClass
- IRRITANT
- HS Code
- 29331990
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- 705527
- Product name
- 3-(Trifluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid
- Purity
- 97%
- Packaging
- 1g
- Price
- $63.4
- Updated
- 2023/06/20
- Product number
- M2628
- Product name
- 1-Methyl-3-(trifluoromethyl)pyrazole-4-carboxylic Acid
- Purity
- >98.0%(GC)(T)
- Packaging
- 1g
- Price
- $41
- Updated
- 2025/07/31
- Product number
- T791365
- Product name
- 3-(Trifluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid
- Packaging
- 2.5g
- Price
- $120
- Updated
- 2021/12/16
- Product number
- T791365
- Product name
- 3-(Trifluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid
- Packaging
- 10g
- Price
- $375
- Updated
- 2021/12/16
- Product number
- T791365
- Product name
- 3-(Trifluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid
- Packaging
- 25g
- Price
- $745
- Updated
- 2021/12/16
1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID Chemical Properties,Usage,Production
Chemical Properties
White solid
Uses
3-(Trifluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic Acid is used in the synthesis of diaryl ether inhibitors of Toxoplasma gondii enoyl reductase. Also used in the synthesis of 4-carboxamide derivatives acting as antifungal agents.
Synthesis
111493-74-4
113100-53-1
General procedure for the synthesis of 1-methyl-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid from ethyl 1-methyl-3-trifluoromethyl-1H-pyrazole-4-carboxylate: to a reaction vial, ethyl 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate (5600 mg, 25 mmol) and potassium hydroxide (4740 mg, 30 mmol) were added in 50 mL of solvent. The reaction mixture was stirred at room temperature overnight. Upon completion of the reaction, the reaction solution was acidified to pH 1 with dilute hydrochloric acid and a white solid product was precipitated. The solid was collected by filtration and washed with an appropriate solvent and dried to give 1-methyl-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid in 59% yield with a melting point of 195-196 °C. The structure of the product was confirmed by 1H NMR (500 MHz, DMSO-d6) with chemical shifts of δ 12.80 (s, 1H, COOH), 8.44 (s, 1H, CH on the pyrazole ring), 3.93 (s, 3H, CH3).
References
[1] Angewandte Chemie - International Edition, 2017, vol. 56, # 16, p. 4569 - 4574
[2] Angew. Chem., 2017, vol. 129, # 16, p. 4640 - 4645,6
[3] Molecules, 2012, vol. 17, # 12, p. 14205 - 14218
[4] Journal of Molecular Structure, 2018, vol. 1171, p. 631 - 638
[5] Patent: EP2263999, 2010, A1. Location in patent: Page/Page column 21-22
1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID Preparation Products And Raw materials
Raw materials
Preparation Products
1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID Suppliers
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View Lastest Price from 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID manufacturers
- Product
- 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID 113100-53-1
- Price
- US $2.00-5.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 100kg
- Release date
- 2025-06-13
- Product
- 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID 113100-53-1
- Price
- US $0.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- As your request
- Release date
- 2024-03-06
- Product
- 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID 113100-53-1
- Price
- US $1.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- 100KG
- Release date
- 2018-12-22