No renderable structure data available
C1=CC(=CC=C1C(=O)CCCCCl)FChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 5-chloro-1-(4-fluorophenyl)pentan-1-one |
|---|---|
| IUPAC Name | — |
| CAS Number | 17135-46-5 |
| Database ID | 12649794 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
5-chloro-1-(4-fluorophenyl)pentan-1-one (CAS 17135-46-5) 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 12649794
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-5b2daf60cc624fc39c961bcabe16ef1fConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-d23bf6f16fe44b52a9f433fca583de35Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-90daa76b8d204a808f9e5bcfa72df34dConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-5b2daf60cc624fc39c961bcabe16ef1fConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 19.3 g (0.07 mole) of α,α -diphenyl-4-piperidinemethanol, 17.1 g (0.08 mole) of 5-chloro-4'-fluorovalerophenone, 20.0 g (0.2 mole) of potassium bicarbonate, and 0.1 g of potassium iodide in 250 ml of toluene and 35 ml of water is stirred on a steam bath for 70 hours. The organic layer is separated and combined with two 50 ml toluene extracts of the aqueous layer. The combined organic material is washed with water and saturated sodium chloride solution, dried over magnesium sulfate and filtered. The filtrate is diluted with about 200 ml of ether then made acidic with ethereal HCl. The resulting precipitate is recrystallized from methanol-butanone to give 4'-fluoro-5-[4-(α-hydroxy-α-phenylbenzyl)piperidino]valerophenone hydrochloride, M.P. 177°-179°C. The organic layer is separated The combined organic material is washed with water and saturated sodium chloride solution dried over magnesium sulfate filtered The filtrate is diluted with about 200 ml of ether The resulting precipitate is recrystallized from methanol-butanone
Source ID: ord-e7775154740c442a8bdbdf18ccfcf47aConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 19.3 g (0.07 mole) of α,α -diphenyl-4-piperidinemethanol, 17.1 g (0.08 mole) of 5-chloro-4'-fluorovalerophenone, 20.0 g (0.2 mole) of potassium bicarbonate, and 0.1 g of potassium iodide in 250 ml of toluene and 35 ml of water is stirred on a steam bath for 70 hours. The organic layer is separated and combined with two 50 ml toluene extracts of the aqueous layer. The combined organic material is washed with water and saturated sodium chloride solution, dried over magnesium sulfate and filtered. The filtrate is diluted with about 200 ml of ether then made acidic with ethereal HCl. The resulting precipitate is recrystallized from methanol-butanone to give 4'-fluoro-5-[4-(α-hydroxy-α-phenylbenzyl)piperidino]valerophenone hydrochloride, M.P. 177°-179°C. The organic layer is separated The combined organic material is washed with water and saturated sodium chloride solution dried over magnesium sulfate filtered The filtrate is diluted with about 200 ml of ether The resulting precipitate is recrystallized from methanol-butanone
Source ID: ord-e7775154740c442a8bdbdf18ccfcf47aConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: According to Procedure B above, 6-chloro-4-(piperidin-4-ylamino)-chromen-2-one (0.025 g, 0.05 mmol) and 1-(4-fluorophenyl)-5-chloro-1-oxopentane (0.024 g, 0.11 mmol) were allowed to react to give the title compound (0.0078 g, 27.4%, mono-TFA salt) as a off-white solid. 1H NMR (300 MHz, MeOH) δ ppm 8.05-8.15 (m, 3H), 7.62 (dd, J=3, 9, 1H), 7.35 (d, J=9, 1H), 7.20-7.28 (m, 2H), 5.47 (s, 1H), 3.82-3.92 (m, 1H), 3.67-3.75 (m, 2H), 3.11-3.25 (m, 5H), 2.32-2.43 (m, 2H), 2.15-2.25 (m, 1H), 1.87-2.03 (m, 2H), 1.79-1.87 (m, 4H); MS (ESI+Q1MS) m/z 457 [M]+ to react
Source ID: ord-bca0439980534a49a88a690f74d1271dConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: According to Procedure B above, 6-chloro-4-(piperidin-4-ylamino)-chromen-2-one (0.025 g, 0.05 mmol) and 1-(4-fluorophenyl)-5-chloro-1-oxopentane (0.024 g, 0.11 mmol) were allowed to react to give the title compound (0.0078 g, 27.4%, mono-TFA salt) as a off-white solid. 1H NMR (300 MHz, MeOH) δ ppm 8.05-8.15 (m, 3H), 7.62 (dd, J=3, 9, 1H), 7.35 (d, J=9, 1H), 7.20-7.28 (m, 2H), 5.47 (s, 1H), 3.82-3.92 (m, 1H), 3.67-3.75 (m, 2H), 3.11-3.25 (m, 5H), 2.32-2.43 (m, 2H), 2.15-2.25 (m, 1H), 1.87-2.03 (m, 2H), 1.79-1.87 (m, 4H); MS (ESI+Q1MS) m/z 457 [M]+ to react
Source ID: ord-bca0439980534a49a88a690f74d1271dConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 19.3 g (0.07 mole) of α,α -diphenyl-4-piperidinemethanol, 17.1 g (0.08 mole) of 5-chloro-4'-fluorovalerophenone, 20.0 g (0.2 mole) of potassium bicarbonate, and 0.1 g of potassium iodide in 250 ml of toluene and 35 ml of water is stirred on a steam bath for 70 hours. The organic layer is separated and combined with two 50 ml toluene extracts of the aqueous layer. The combined organic material is washed with water and saturated sodium chloride solution, dried over magnesium sulfate and filtered. The filtrate is diluted with about 200 ml of ether then made acidic with ethereal HCl. The resulting precipitate is recrystallized from methanol-butanone to give 4'-fluoro-5-[4-(α-hydroxy-α-phenylbenzyl)piperidino]valerophenone hydrochloride, M.P. 177°-179°C. The organic layer is separated The combined organic material is washed with water and saturated sodium chloride solution dried over magnesium sulfate filtered The filtrate is diluted with about 200 ml of ether The resulting precipitate is recrystallized from methanol-butanone
Source ID: ord-e7775154740c442a8bdbdf18ccfcf47aConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-d23bf6f16fe44b52a9f433fca583de35Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-90daa76b8d204a808f9e5bcfa72df34dConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Prepared by Procedure K and Scheme E using 5-chloro-1-(4-fluorophenyl)-1-pentanone and 2-methyl-N-[3-(4-piperidinyl)phenyl]propanamide: ESMS m/e: 425.2 (M+H)+. Prepared by Procedure K and Scheme E
Source ID: ord-cfefe2c6a5c840e3876f63c5fe526508PubChem References
These sources are listed in the compound's public database record.
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