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| | Ethyl 3-methyl-4-oxocrotonate Basic information |
| Product Name: | Ethyl 3-methyl-4-oxocrotonate | | Synonyms: | ETHYL TRANS-3-METHYL-4-OXO-2-BUTENOATE;ETHYL TRANS-GAMMA-OXOSENECIOATE;ethyl trans-γ-oxosenecioate;Ethyl trans-γ-oxosenecioate, Ethyl trans-3-methyl-4-oxo-2-butenoate;(E)-3-Methyl-4-oxo-2-butenoic Acid Ethyl Ester;3-Methyl-fuMaraldehydic Acid Ethyl Ester;Ethyl (2E)-3-Methyl-4-oxobut-2-enoate;Ethyl trans-3-Methyl-4-oxocrotonate | | CAS: | 62054-49-3 | | MF: | C7H10O3 | | MW: | 142.15 | | EINECS: | 690-663-8 | | Product Categories: | Aliphatics;Intermediates | | Mol File: | 62054-49-3.mol |  |
| | Ethyl 3-methyl-4-oxocrotonate Chemical Properties |
| Boiling point | 195-202 °C(lit.) | | density | 1.044 g/mL at 20 °C(lit.) | | refractive index | n20/D 1.461 | | Fp | 109 °C | | storage temp. | 2-8°C | | solubility | Chloroform, Ether, Ethyl Acetate, Methanol | | form | Oil | | color | Clear Colourless to Light Yellow | | BRN | 1704098 | | InChI | 1S/C7H10O3/c1-3-10-7(9)4-6(2)5-8/h4-5H,3H2,1-2H3/b6-4+ | | InChIKey | YLFXEUMFBVGYEL-GQCTYLIASA-N | | SMILES | [H]C(=O)\C(C)=C\C(=O)OCC |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 23-24/25-36-26 | | WGK Germany | 3 | | F | 10 | | HS Code | 2918300090 | | Storage Class | 10 - Combustible liquids |
| | Ethyl 3-methyl-4-oxocrotonate Usage And Synthesis |
| Chemical Properties | Light Yellow Oil | | Uses | Derivative of monoenoic and trienoic analogs of Sorbic Acid with antifungal activity. | | Synthesis | General procedure for the synthesis of ethyl 3-formyl-2-butenoate from ethyl (E)-4-hydroxy-3-methylbut-2-enoate: to a vigorously stirred solution of ethyl (E)-4-hydroxy-3-methylbut-2-enoate (9.37 g, 65 mmol) in dichloromethane (1.3 L) was added activated manganese dioxide powder (56.5 g, 650 mmol). The resulting suspension was stirred at room temperature for 1 hour and then filtered through a diatomaceous earth pad. The filtrate was evaporated to give pure ethyl 3-formyl-2-butenoate as a yellow oil. Yield: 7.66 g (92%); Thin Layer Chromatography (Spreading Agent D) Rf Value: 0.35; IR Spectra (pure sample, cm-1 ): 2829, 2740, 1718, 1660; GC-MS (electron bombardment, 20 eV): retention time = 4.82 min, mass-to-charge ratio (relative abundance): 142 (4, [M]+), 114 (15, [M- CO]+), 97 (100, [M-OCH2CH3]+), 96 (100, [M-CH3CH2OH]+); 1H nuclear magnetic resonance (CDCl3, δ): 9.54 (s, 1H), 6.49 (q, 1H, unresolved), 4.26 (q, 2H, J=6.8 Hz), 2.15 (d, 3H, J=1.2 Hz), and 1.33 (t, 3H, J=7.2Hz); 13C NMR (CDCl3, δ): 194.8, 165.7, 150.6, 135.8, 61.3, 14.4, 11.0. | | References | [1] European Journal of Medicinal Chemistry, 2011, vol. 46, # 2, p. 721 - 737
[2] Synthesis, 1983, # 4, p. 297 - 300
[3] Journal of Organic Chemistry, 1986, vol. 51, # 2, p. 256 - 258 |
| | Ethyl 3-methyl-4-oxocrotonate Preparation Products And Raw materials |
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