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| | Ethyl pyrazole-3-carboxylate Basic information |
| | Ethyl pyrazole-3-carboxylate Chemical Properties |
| Melting point | 158-160 °C | | Boiling point | 279 °C | | density | 1.214 | | Fp | 123 °C | | storage temp. | Inert atmosphere,Room Temperature | | form | powder | | pka | 11.04±0.10(Predicted) | | color | yellowish-orange | | InChI | InChI=1S/C6H8N2O2/c1-2-10-6(9)5-3-4-7-8-5/h3-4H,2H2,1H3,(H,7,8) | | InChIKey | MSPOSRHJXMILNK-UHFFFAOYSA-N | | SMILES | N1C=CC(C(OCC)=O)=N1 |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-37/39 | | WGK Germany | 3 | | TSCA | No | | HazardClass | IRRITANT | | HS Code | 2933199090 | | Storage Class | 13 - Non Combustible Solids |
| | Ethyl pyrazole-3-carboxylate Usage And Synthesis |
| Synthesis | Pyrazole-3-carboxylic acid (1.112 g, 10 mmol) was dissolved in ethanol (50 mL) at 80 °C, followed by slow addition of concentrated sulfuric acid (2 mL). The reaction mixture was kept under stirring for 2 hours. Upon completion of the reaction, ethyl 1H-pyrazole-3-carboxylate (1.350 g, 9.6 mmol, 96% yield) was obtained. | | References | [1] Journal of the Iranian Chemical Society, 2016, vol. 13, # 5, p. 823 - 830
[2] Patent: US9206115, 2015, B2. Location in patent: Page/Page column 25-26
[3] Patent: EP3235819, 2017, A1. Location in patent: Paragraph 0264; 0265
[4] Journal of the American Chemical Society, 2000, vol. 122, # 44, p. 10810 - 10820
[5] Patent: WO2008/92942, 2008, A2. Location in patent: Page/Page column 20 |
| | Ethyl pyrazole-3-carboxylate Preparation Products And Raw materials |
| Raw materials | Butanoic acid, 2,4-dioxo-, ethyl ester-->1H-Pyrazole-3-carboxylicacid, 5-cyano-4,5-dihydro-, ethyl ester-->ETHYL 4-(DIMETHYLAMINO)-2-OXOBUT-3-ENOATE-->1H-Pyrazole-3-carboxylicacid,1-methyl-,ethylester(9CI)-->ETHYL 2-(2H-1,2,3,4-TETRAAZOL-5-YL)ACETATE-->ETHYL TRANS-4-OXO-2-BUTENOATE-->Ethanol-->Ethyl propiolate-->3-Buten-2-one, 4-butoxy-1-chloro-1,1-difluoro--->(TRIMETHYLSILYL)DIAZOMETHANE | | Preparation Products | ethyl 4-bromo-1H-pyrazole-5-carboxylate(SALTDATA: FREE)-->1H-Pyrazole-3-carboxylicacid,4-fluoro-,ethylester(9CI)-->Ethyl 1-Benzylpyrazole-3-carboxylate-->1-isopropylpyrazole-3-carboxylic acid ethyl ester-->ethyl 1-(4-nitrophenyl)-1H-pyrazole-3-carboxylate-->ethyl 1-(4-fluorophenyl)-1H-pyrazole-3-carboxylate |
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