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| | Ethyl 1,3-dimethylpyrazole-5-carboxylate Basic information | | Uses |
| Product Name: | Ethyl 1,3-dimethylpyrazole-5-carboxylate | | Synonyms: | ETHYL 1,3-DIMETHYLPYRAZOLE-5-CARBOXYLATE;BUTTPARK 91\11-01;1,3-DIMETHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER;AKOS PAO-0382;RARECHEM AL BI 1315;Ethyl 1,3-dimethylpyrazole-5-carboxylate 95%;Ethyl 1,3-Dimethyl-1H-pyrazole-5-carboxylate ,97%;1H-Pyrazole-5-carboxylic acid, 1,3-diMethyl-, ethyl ester | | CAS: | 5744-40-1 | | MF: | C8H12N2O2 | | MW: | 168.19 | | EINECS: | | | Product Categories: | Pyrazole;Heterocycle | | Mol File: | 5744-40-1.mol |  |
| | 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 | | pka | 1.03±0.10(Predicted) | | form | clear liquid | | 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) |
| | 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 130140°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 Preparation Products And Raw materials |
| Raw materials | Ethanol-->Hydrochloric acid-->Ethyl acetate-->Sulfuric acid-->Dichloromethane-->Sodium-->Acetone-->Diethyl oxalate-->Methylhydrazine-->2-chloro-6-fluoro-benzoate | | Preparation Products | 1,3-Dimethyl-1H-pyrazole-5-carbaldehyde-->1-(2,5-Dimethyl-2H-pyrazol-3-yl)-ethanone-->2-Bromo-1-(1,3-dimethyl-1H-pyrazol-5-yl)ethanone-->5-Isocyanato-1,3-dimethyl-1H-pyrazole-->1,3-Dimethyl-1H-pyrazole-5-carbonyl chloride-->1,3-Dimethyl-1H-pyrazole-5-carbonitrile-->5-(Chloromethyl)-1,3-dimethyl-1H-pyrazole-->1,3-Dimethylpyrazole-5-carboxylic acid-->(1,3-Dimethyl-1H-pyrazol-5-yl)methanol-->4-Chloro-2,5-dimethyl-2H-pyrazole-3-carboxylic acid-->1,3-Dimethylpyrazole-5-carbohydrazide |
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