ChemicalBook > CAS DataBase List > 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID

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
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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
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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
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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.

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N-Bromosuccinimide Price

Sigma-Aldrich
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
TCI Chemical
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
TRC
Product number
T791365
Product name
3-(Trifluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid
Packaging
2.5g
Price
$120
Updated
2021/12/16
TRC
Product number
T791365
Product name
3-(Trifluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid
Packaging
10g
Price
$375
Updated
2021/12/16
TRC
Product number
T791365
Product name
3-(Trifluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid
Packaging
25g
Price
$745
Updated
2021/12/16
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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

Ethyl vinyl ether Ethyl 4,4,4-trifluoroacetoacetate Hexane tert-Butyllithium Acetic anhydride Triethyl orthoformate Sodium thiosulfate Trifluoroacetic acid Carbon dioxide Pentane Tetrahydrofuran Diethyl ether Bromine Methylhydrazine Methanol Sodium hydroxide Iron 4-Dimethylaminopyridine

Preparation Products

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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

ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD
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
Changzhou waston chemical technology Co.,Ltd
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
Career Henan Chemical Co
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

113100-53-1, 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACIDRelated Search:

1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLATE 5-CHLORO-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID 2-METHYL-5-TRIFLUOROMETHYL-2H-PYRAZOLE-3-CARBOXYLIC ACID 1-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE 1-METHYL-3-(TRIFLUOROMETHYL)-5-[3-(TRIFLUOROMETHYL)PHENOXY]-1H-PYRAZOLE-4-CARBOXYLIC ACID 5-(3-CHLOROPHENOXY)-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID 1-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID 4-BROMO-1-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID 4-BROMO-1-METHYL-5-TRIFLUOROMETHYL-1 H-PYRAZOLE-3-CARBOXYLIC ACID HYDRAZIDE 4-CHLORO-2-METHYL-5-TRIFLUOROMETHYL-2 H-PYRAZOLE-3-CARBOXYLIC ACID 4-CHLORO-1-METHYL-5-TRIFLUOROMETHYL-1 H-PYRAZOLE-3-CARBOXYLIC ACID HYDRAZIDE 4-CHLORO-1-METHYL-5-TRIFLUOROMETHYL-1 H-PYRAZOLE-3-CARBOXYLIC ACID RARECHEM AL BF 0329 RARECHEM AL BE 1287 TIMTEC-BB SBB001306 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-YL 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLATE

  • 1-METHYL-3-TRIFLUOROMETHYLPYRAZOLE-4-CARBOXYLIC ACID
  • 1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid ,97%
  • BUTTPARK 99\18-24
  • 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
  • 1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxy
  • 1-Methyl-3-trifluoromethyl-4-pyrazolecarboxylic Acid
  • 2-Methyl-5-trifluoromethyl-2H-pyrazole-3-carbonylchloride
  • 3-(TrifluoroMethyl)-1-Methyl-1H-pyrazole-4-carboxylic acid
  • 4-Carboxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole
  • 3-(Trifluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid 97%
  • 1-Methyl-3-(trifluoromethyl)pyrazole-4-carboxylic Acid &gt
  • 1H-Pyrazole-4-carboxylic acid, 1-methyl-3-(trifluoromethyl)-
  • )-1H-pyrazoL
  • -3-(trifL
  • 1-Methyl-3-(trifluoromethyl)-1H-pyrazol-4-carboxylic acid
  • 1H-Pyrazole-4-carboxylic acid, 1-methyl-3-
  • 3-(Trifluoromethyl)-1-methyl-1<i>H</i>-pyrazole-4-carboxylic acid
  • 113100-53-1
  • C6H5F3N2O2
  • Building Blocks
  • Pyrazole