| Identification | Back Directory | [Name]
ETHYL 3-METHYL-4-OXOCROTONATE | [CAS]
62054-49-3 | [Synonyms]
ethyl trans-γ-oxosenecioate
ETHYL 3-METHYL-4-OXOCROTOTE
Tretinoin Related Compound 4
ETHYL 3-METHYL-4-OXOCROTONATE
ETHYL TRANS-GAMMA-OXOSENECIOATE
Ethyl trans-3-Methyl-4-oxocrotonate
(E)-ethyl 3-Methyl-4-oxobut-2-enoate
Ethyl (E)-4-oxo-3-methyl-2-butenoate
Ethyl (2E)-3-Methyl-4-oxobut-2-enoate
ETHYL TRANS-3-METHYL-4-OXO-2-BUTENOATE
3-Methyl-fuMaraldehydic Acid Ethyl Ester
Ethyl 3-Methyl-4-oxocrotonate >=97.0% (GC)
(E)-3-Methyl-4-oxo-2-butenoic Acid Ethyl Ester
2-Butenoic acid, 3-methyl-4-oxo-, ethyl ester, (2E)-
Ethyl trans-γ-oxosenecioate, Ethyl trans-3-methyl-4-oxo-2-butenoate | [EINECS(EC#)]
690-663-8 | [Molecular Formula]
C7H10O3 | [MDL Number]
MFCD00043412 | [MOL File]
62054-49-3.mol | [Molecular Weight]
142.15 |
| Chemical Properties | Back Directory | [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 Information | Back Directory | [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 |
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