Identification | Back Directory | [Name]
ethyl 4-(4-fluorophenyl)-2,4-dioxobutanoate | [CAS]
31686-94-9 | [Synonyms]
Ethyl 4-(4-fluorophenyl) Ethyl 4-fluoro-a,g-dioxo-benzenebutanoate ethyl 4-(4-fluorophenyl)-2,4-dioxobutanoate Benzenebutanoicacid,4-fluoro-α,γ-dioxo-,ethylester 4-(4-Fluoro-phenyl)-2,4-dioxo-butyric acid ethyl ester Benzenebutanoic acid, 4-fluoro-α,γ-dioxo-, ethyl ester Benzenebutanoic acid, 4-fluoro-.alpha.,.gaMMa.-dioxo-, ethyl ester | [Molecular Formula]
C12H11FO4 | [MDL Number]
MFCD02672449 | [MOL File]
31686-94-9.mol | [Molecular Weight]
238.21 |
Chemical Properties | Back Directory | [Boiling point ]
360.9±22.0 °C(Predicted) | [density ]
1.241±0.06 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [pka]
6.00±0.25(Predicted) | [Appearance]
Light yellow to yellow Solid |
Hazard Information | Back Directory | [Synthesis]
Synthesis of ethyl 4-(4-fluorophenyl)-2,4-dioxobutanoate: In a 2L round-bottomed flask fitted with a reflux condenser tube and a CaCl2 drying tube, sodium metal (49.9 g, 2.17 mol, 3.0 eq.) was slowly dissolved in ethanol (1.0 L). After the resulting sodium ethanol solution was cooled to about 10°C, a mixture of 4-fluoroacetophenone (100.0 g, 0.72 mol) and diethyl oxalate (295 mL, 2.17 mol, 3.0 eq.) was slowly added. The reaction mixture was stirred for about 15 minutes and then placed in a refrigerator to stand overnight. Subsequently, the reaction mixture was poured into a mixture consisting of concentrated hydrochloric acid solution (300 mL) and ice (about 1 kg). The resulting precipitate was collected by filtration and washed with plenty of water and finally dried in a vacuum dryer using P2O5/KOH. The product was a light yellow powder, yield: 165.5 g (96% yield). | [References]
[1] Patent: WO2015/95337, 2015, A2. Location in patent: Paragraph 0030 [2] Synthetic Communications, 2013, vol. 43, # 1, p. 110 - 117 [3] Patent: WO2015/196071, A1. Location in patent: Paragraph 0520 [3] Patent: , 2015, . Location in patent: Paragraph 0520 [5] Patent: WO2017/40606, 2017, A1. Location in patent: Paragraph 0465 |
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