No renderable structure data available
C1(C=CC(C(CCCC(=O)OC)=O)=CC=1)FChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | Methyl 5-(4-fluorophenyl)-5-oxovalerate |
|---|---|
| IUPAC Name | — |
| CAS Number | 149437-67-2 |
| Database ID | 21763150 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
Methyl 5-(4-fluorophenyl)-5-oxovalerate (CAS 149437-67-2) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
Potential Applications
For professional research and industrial use only
Database ID 21763150
Safety Notice
For professional research and industrial use only. Review the supplier safety data sheet before handling.
Synthesis data
12 reactions · 12 references
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-c37dc3259a774402b88d9b0c66516c62Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-c37dc3259a774402b88d9b0c66516c62Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-c37dc3259a774402b88d9b0c66516c62Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 5-(4-fluorophenyl)-5-oxopentanoic acid (3.0 g, 14.3 mmol) in dry MeOH (50 ml) was added concentrated sulfuric acid (50 mg) and the mixture refluxed under nitrogen for 16 h. The bulk of the MeOH was removed by rotary evaporator and the residue treated with sodium bicarbonate solution (5%, 100 ml) and extracted with ethyl acetate (3×50 ml). The organic extract was washed with water (1×100 ml), brine (1×100 ml), dried (Na2SO4) and evaporated to give methyl 5-(4-fluorophenyl)-5-oxopentanoate (2.69 g, 84%) as a white crystalline solid. the mixture refluxed under nitrogen for 16 h The bulk of the MeOH was removed by rotary evaporator the residue treated with sodium bicarbonate solution (5%, 100 ml) extracted with ethyl acetate (3×50 ml) The organic extract was washed with water (1×100 ml), brine (1×100 ml) dried (Na2SO4) evaporated
Source ID: ord-e4245208a0a8490eb9b0b044dac80ee8Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 5-(4-fluorophenyl)-5-oxopentanoic acid (3.0 g, 14.3 mmol) in dry MeOH (50 ml) was added concentrated sulfuric acid (50 mg) and the mixture refluxed under nitrogen for 16 h. The bulk of the MeOH was removed by rotary evaporator and the residue treated with sodium bicarbonate solution (5%, 100 ml) and extracted with ethyl acetate (3×50 ml). The organic extract was washed with water (1×100 ml), brine (1×100 ml), dried (Na2SO4) and evaporated to give methyl 5-(4-fluorophenyl)-5-oxopentanoate (2.69 g, 84%) as a white crystalline solid. the mixture refluxed under nitrogen for 16 h The bulk of the MeOH was removed by rotary evaporator the residue treated with sodium bicarbonate solution (5%, 100 ml) extracted with ethyl acetate (3×50 ml) The organic extract was washed with water (1×100 ml), brine (1×100 ml) dried (Na2SO4) evaporated
Source ID: ord-e4245208a0a8490eb9b0b044dac80ee8Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of methyl 5-(4-fluorophenyl)-5-oxopentanoate (CAS No. 149437-67-2, 116 mg) and tert-butyl carbazate (73 mg) in 2-propanol (3 mL) was heated under reflux for six hours. The reaction solution was left to cool to room temperature, and then platinum oxide (10 mg) was added to the reaction solution. The reaction solution was stirred at room temperature in an hydrogen atmosphere at 3.5 atm for eight hours. The reaction solution was filtered through celite, and the filtrate was concentrated under reduced pressure. The residue was purified by silica gel column chromatography (elution solvent: heptane:ethyl acetate=9:1->heptane:ethyl acetate=1:1) to obtain 81 mg of the title compound. The property value of the compound is as follows. under reflux for six hours The reaction solution was left The reaction solution was filtered through celite the filtrate was concentrated under reduced pressure The residue was purified by silica gel column chromatography (elution solvent: heptane:ethyl acetate=9:1->heptane:ethyl acetate=1:1)
Source ID: ord-e02603147d2d472f928882358dea0065Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of methyl 5-(4-fluorophenyl)-5-oxopentanoate (CAS No. 149437-67-2, 116 mg) and tert-butyl carbazate (73 mg) in 2-propanol (3 mL) was heated under reflux for six hours. The reaction solution was left to cool to room temperature, and then platinum oxide (10 mg) was added to the reaction solution. The reaction solution was stirred at room temperature in an hydrogen atmosphere at 3.5 atm for eight hours. The reaction solution was filtered through celite, and the filtrate was concentrated under reduced pressure. The residue was purified by silica gel column chromatography (elution solvent: heptane:ethyl acetate=9:1->heptane:ethyl acetate=1:1) to obtain 81 mg of the title compound. The property value of the compound is as follows. under reflux for six hours The reaction solution was left The reaction solution was filtered through celite the filtrate was concentrated under reduced pressure The residue was purified by silica gel column chromatography (elution solvent: heptane:ethyl acetate=9:1->heptane:ethyl acetate=1:1)
Source ID: ord-e02603147d2d472f928882358dea0065Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of methyl 5-(4-fluorophenyl)-5-oxopentanoate (CAS No. 149437-67-2, 116 mg) and tert-butyl carbazate (73 mg) in 2-propanol (3 mL) was heated under reflux for six hours. The reaction solution was left to cool to room temperature, and then platinum oxide (10 mg) was added to the reaction solution. The reaction solution was stirred at room temperature in an hydrogen atmosphere at 3.5 atm for eight hours. The reaction solution was filtered through celite, and the filtrate was concentrated under reduced pressure. The residue was purified by silica gel column chromatography (elution solvent: heptane:ethyl acetate=9:1→heptane:ethyl acetate=1:1) to obtain 81 mg of the title compound. The property value of the compound is as follows. under reflux for six hours The reaction solution was left The reaction solution was filtered through celite the filtrate was concentrated under reduced pressure The residue was purified by silica gel column chromatography (elution solvent: heptane:ethyl acetate=9:1→heptane:ethyl acetate=1:1)
Source ID: ord-b4e0e6fb0105485a943f2e1e2e46d970Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of methyl 5-(4-fluorophenyl)-5-oxopentanoate (CAS No. 149437-67-2, 116 mg) and tert-butyl carbazate (73 mg) in 2-propanol (3 mL) was heated under reflux for six hours. The reaction solution was left to cool to room temperature, and then platinum oxide (10 mg) was added to the reaction solution. The reaction solution was stirred at room temperature in an hydrogen atmosphere at 3.5 atm for eight hours. The reaction solution was filtered through celite, and the filtrate was concentrated under reduced pressure. The residue was purified by silica gel column chromatography (elution solvent: heptane:ethyl acetate=9:1→heptane:ethyl acetate=1:1) to obtain 81 mg of the title compound. The property value of the compound is as follows. under reflux for six hours The reaction solution was left The reaction solution was filtered through celite the filtrate was concentrated under reduced pressure The residue was purified by silica gel column chromatography (elution solvent: heptane:ethyl acetate=9:1→heptane:ethyl acetate=1:1)
Source ID: ord-b4e0e6fb0105485a943f2e1e2e46d970Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 5-(4-fluorophenyl)-5-oxopentanoic acid (3.0 g, 14.3 mmol) in dry MeOH (50 ml) was added concentrated sulfuric acid (50 mg) and the mixture refluxed under nitrogen for 16 h. The bulk of the MeOH was removed by rotary evaporator and the residue treated with sodium bicarbonate solution (5%, 100 ml) and extracted with ethyl acetate (3×50 ml). The organic extract was washed with water (1×100 ml), brine (1×100 ml), dried (Na2SO4) and evaporated to give methyl 5-(4-fluorophenyl)-5-oxopentanoate (2.69 g, 84%) as a white crystalline solid. the mixture refluxed under nitrogen for 16 h The bulk of the MeOH was removed by rotary evaporator the residue treated with sodium bicarbonate solution (5%, 100 ml) extracted with ethyl acetate (3×50 ml) The organic extract was washed with water (1×100 ml), brine (1×100 ml) dried (Na2SO4) evaporated
Source ID: ord-e4245208a0a8490eb9b0b044dac80ee8Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of methyl 5-(4-fluorophenyl)-5-oxopentanoate (CAS No. 149437-67-2, 116 mg) and tert-butyl carbazate (73 mg) in 2-propanol (3 mL) was heated under reflux for six hours. The reaction solution was left to cool to room temperature, and then platinum oxide (10 mg) was added to the reaction solution. The reaction solution was stirred at room temperature in an hydrogen atmosphere at 3.5 atm for eight hours. The reaction solution was filtered through celite, and the filtrate was concentrated under reduced pressure. The residue was purified by silica gel column chromatography (elution solvent: heptane:ethyl acetate=9:1->heptane:ethyl acetate=1:1) to obtain 81 mg of the title compound. The property value of the compound is as follows. under reflux for six hours The reaction solution was left The reaction solution was filtered through celite the filtrate was concentrated under reduced pressure The residue was purified by silica gel column chromatography (elution solvent: heptane:ethyl acetate=9:1->heptane:ethyl acetate=1:1)
Source ID: ord-300434c151da4f718c5f888d15255920Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of methyl 5-(4-fluorophenyl)-5-oxopentanoate (CAS No. 149437-67-2, 116 mg) and tert-butyl carbazate (73 mg) in 2-propanol (3 mL) was heated under reflux for six hours. The reaction solution was left to cool to room temperature, and then platinum oxide (10 mg) was added to the reaction solution. The reaction solution was stirred at room temperature in an hydrogen atmosphere at 3.5 atm for eight hours. The reaction solution was filtered through celite, and the filtrate was concentrated under reduced pressure. The residue was purified by silica gel column chromatography (elution solvent: heptane:ethyl acetate=9:1->heptane:ethyl acetate=1:1) to obtain 81 mg of the title compound. The property value of the compound is as follows. under reflux for six hours The reaction solution was left The reaction solution was filtered through celite the filtrate was concentrated under reduced pressure The residue was purified by silica gel column chromatography (elution solvent: heptane:ethyl acetate=9:1->heptane:ethyl acetate=1:1)
Source ID: ord-300434c151da4f718c5f888d15255920PubChem References
These sources are listed in the compound's public database record.
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