Ethyl 1,3-dimethylpyrazole-5-carboxylate Chemical Properties

Melting point:

40-42 °C

Boiling point:

80°C 1mm

Density 

1.12±0.1 g/cm3(Predicted)

refractive index 

1.4790 to 1.4830

storage temp. 

Keep in dark place,Sealed in dry,Room Temperature

form 

clear liquid

pka

1.03±0.10(Predicted)

color 

Light yellow to Yellow to Orange

InChI

InChI=1S/C8H12N2O2/c1-4-12-8(11)7-5-6(2)9-10(7)3/h5H,4H2,1-3H3

InChIKey

ZYSGPOXVDOROJU-UHFFFAOYSA-N

SMILES

N1(C)C(C(OCC)=O)=CC(C)=N1

CAS DataBase Reference

5744-40-1(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi,Xn

Risk Statements 

22-36/37/38

Safety Statements 

24/25-36/37/39-26-23

HazardClass 

IRRITANT

HS Code 

29331990

Ethyl 1,3-dimethylpyrazole-5-carboxylate Usage And Synthesis

Uses

1,3-Dimethyl-1H-pyrazole-5-carboxylic acid ethyl ester is a representative compound of pyrazole derivatives. By modifying its structure and introducing different substituents into the pyrazole ring structure, it is expected that pyrazole derivatives with better performance can be obtained.

Chemical Properties

Colorless to light yellow liqui

Synthesis

The general procedure for the synthesis of ethyl 1,3-dimethyl-1hydro-pyrazole-5-carboxylate from ethyl 3-methylpyrazole-5-carboxylate and dimethyl carbonate is as follows: 0.1 mol ethyl 3-methyl-5-pyrazolecarboxylate, 0.055 mol dimethyl carbonate (DMC), 100 mL xylene, and 2.0 g Cs2CO3 were mixed, and the reaction was carried out at 130?140°C for 8 hours. Upon completion of the reaction, the mixture was cooled to room temperature and the solvent was removed by rotary evaporation to afford ethyl 1,3-dimethyl-5-pyrazolecarboxylate as an oil. The product was quantitatively analyzed by high performance liquid chromatography (HPLC) with a purity of 97.7% and a yield of 85.8%.

References

[1] Patent: CN107216288, 2017, A. Location in patent: Paragraph 0039; 0040; 0041; 0042

Ethyl 1,3-dimethylpyrazole-5-carboxylate(5744-40-1)Related Product Information

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• Dimethyl ether
• Ethyl formate
• Ethyl propiolate
• Dimethyl sulfoxide
• Ethyl acetate
• Dimethyl fumarate
• Pyrazole
• Trinexapac-ethyl
• Dimethyl sulfide
• ISOXADIFEN-ETHYL
• Dimethyl sulfate
• Ethyl cyanoformate
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