- Ethyl pyrazole-4-carboxylate
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- $15.00 / 1KG
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2021-08-12
- CAS:37622-90-5
- Min. Order: 1KG
- Purity: 99%+ HPLC
- Supply Ability: Monthly supply of 1 ton
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| | Ethyl pyrazole-4-carboxylate Basic information |
| | Ethyl pyrazole-4-carboxylate Chemical Properties |
| Melting point | 78-80 °C (lit.) | | Boiling point | 138-140 °C/3 mmHg (lit.) | | density | 1.2850 (rough estimate) | | refractive index | 1.5010 (estimate) | | Fp | 138-140°C/3mm | | storage temp. | Sealed in dry,Room Temperature | | solubility | Miscible with acetone. | | pka | 11.70±0.50(Predicted) | | form | Crystalline Powder | | color | White to pale yellow | | InChI | InChI=1S/C6H8N2O2/c1-2-10-6(9)5-3-7-8-4-5/h3-4H,2H2,1H3,(H,7,8) | | InChIKey | KACZQOKEFKFNDB-UHFFFAOYSA-N | | SMILES | N1C=C(C(OCC)=O)C=N1 | | LogP | 0.909 (est) | | CAS DataBase Reference | 37622-90-5(CAS DataBase Reference) | | NIST Chemistry Reference | 4-(C2H5COO)-pyrazole(37622-90-5) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-37/39 | | WGK Germany | 3 | | HazardClass | IRRITANT | | HS Code | 29331990 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | Ethyl pyrazole-4-carboxylate Usage And Synthesis |
| Chemical Properties | White to pale yellow crystalline powder | | Uses | Ethyl pyrazole-4-carboxylate is used for the synthesis of isoxazole-4-carboxylic acid derivatives and isoxazole-3,5-dicarboxamides. | | Uses | Used for the synthesis of isoxazole-4-carboxylic acid derivatives and isoxazole-3,5-dicarboxamides as herbicides. | | Synthesis Reference(s) | Journal of Heterocyclic Chemistry, 30, p. 865, 1993 DOI: 10.1002/jhet.5570300404 | | Synthesis | The general procedure for the synthesis of ethyl 4-pyrazolecarboxylate from ethyl 2-formyl-3-oxopropanoate was as follows: 6.2 g (193 mmol) of hydrazine was slowly added to a solution of 27.6 g (192 mmol) of (ethoxycarbonyl)malondialdehyde dissolved in 150 mL of ethanol under ice bath cooling conditions. The reaction mixture was stirred at room temperature for 17 hours to complete the reaction. Subsequently, ethanol was removed from the reaction mixture by vacuum distillation. The residue was purified by silica gel column chromatography using a solvent mixture of dichloromethane and ethyl acetate as the unfolding agent, resulting in 19.4 g (72.4% yield) of ethyl 1H-pyrazole-4-carboxylate as yellow crystals.1H-NMR [CDCl3/TMS, δ (ppm)]: 8.08 (2H, s), 5.30 (1H, s), 4.31 ( 2H, q), 1.36 (3H, t). | | References | [1] Tetrahedron, 2008, vol. 64, # 33, p. 7745 - 7758
[2] Journal of Heterocyclic Chemistry, 1993, vol. 30, # 4, p. 865 - 872
[3] Patent: EP1364946, 2003, A1. Location in patent: Page/Page column 196
[4] Patent: US2005/256004, 2005, A1. Location in patent: Page/Page column 32 |
| | Ethyl pyrazole-4-carboxylate Preparation Products And Raw materials |
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