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C1=CC=C(C(=C1)CC#N)OC(F)(F)F製品情報
2-[2-(trifluoromethoxy)phenyl]acetonitrile (CAS 137218-25-8) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
想定用途
専門的研究・工業用途限定
データベース ID 2777321
安全上の注意
For professional research and industrial use only. Review the supplier safety data sheet before handling.
合成データ
9 反応 · 9 文献
反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: 2-(2-Trifluoromethoxy-benzyl)-4,5-dihydro-1H-imidazole was prepared from (2-trifluoromethoxy-phenyl)-acetonitrile and ethylene diamine in analogy to Example 19 b): yellow powder; MS (ISP): 245.0 ((M+H)+.).
ソース ID: ord-6001fe8fc7bf483686b87d98a170569c反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: 2-(2-Trifluoromethoxy-benzyl)-4,5-dihydro-1H-imidazole was prepared from (2-trifluoromethoxy-phenyl)-acetonitrile and ethylene diamine in analogy to Example 19 b): yellow powder; MS (ISP): 245.0 ((M+H)+.).
ソース ID: ord-6001fe8fc7bf483686b87d98a170569c反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: 2-Trifluoromethoxyphenylacetonitrile (0.49 g, 2.6 mmol) from Step 3 above was refluxed for 3 h in a 1:1 mixture of acetic acid and concentrated aqueous HCl. The solvents were removed under reduced pressure. The residue was partitioned between EtOAc (75 mL) and water (2×25 mL). The organic phase was separated, dried (MgSO4), filtered, and evaporated under reduced pressure to give 2-trifluoromethoxyphenylacetic acid as an amorphous solid (HPLC retention time=6.8 min (method A)). The solvents were removed under reduced pressure The residue was partitioned between EtOAc (75 mL) and water (2×25 mL) The organic phase was separated dried (MgSO4) filtered evaporated under reduced pressure
ソース ID: ord-c6fa9a1168d34d4f8f289bb55aa9ec2f反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: To a stirred solution of 2-trifluoromethoxybenzyl bromide (0.95 g, 3.9 mmol) from Step 2 above in DMF (5 mL) was added NaCN (0.21 g, 4.3 mmol). The mixture was stirred at ambient temperature for 14 h and the solvent was removed under reduced pressure. The residue was purified by pressurized silica gel column chromatography using 15% EtOAc-hexanes as eluant to give 2-trifluoromethoxyphenylacetonitrile as a colorless liquid (TLC Rf =0.6 (solvent)). the solvent was removed under reduced pressure The residue was purified by pressurized silica gel column chromatography
ソース ID: ord-8f1d8a84fd2d4d6ebb75db4419a0f787反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: 2-Trifluoromethoxyphenylacetonitrile (0.49 g, 2.6 mmol) from Step 3 above was refluxed for 3 h in a 1:1 mixture of acetic acid and concentrated aqueous HCl. The solvents were removed under reduced pressure. The residue was partitioned between EtOAc (75 mL) and water (2×25 mL). The organic phase was separated, dried (MgSO4), filtered, and evaporated under reduced pressure to give 2-trifluoromethoxyphenylacetic acid as an amorphous solid (HPLC retention time=6.8 min (method A)). The solvents were removed under reduced pressure The residue was partitioned between EtOAc (75 mL) and water (2×25 mL) The organic phase was separated dried (MgSO4) filtered evaporated under reduced pressure
ソース ID: ord-c6fa9a1168d34d4f8f289bb55aa9ec2f反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: To a stirred solution of 2-trifluoromethoxybenzyl bromide (0.95 g, 3.9 mmol) from Step 2 above in DMF (5 mL) was added NaCN (0.21 g, 4.3 mmol). The mixture was stirred at ambient temperature for 14 h and the solvent was removed under reduced pressure. The residue was purified by pressurized silica gel column chromatography using 15% EtOAc-hexanes as eluant to give 2-trifluoromethoxyphenylacetonitrile as a colorless liquid (TLC Rf =0.6 (solvent)). the solvent was removed under reduced pressure The residue was purified by pressurized silica gel column chromatography
ソース ID: ord-8f1d8a84fd2d4d6ebb75db4419a0f787反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: 2-Trifluoromethoxyphenylacetonitrile (0.49 g, 2.6 mmol) from Step 3 above was refluxed for 3 h in a 1:1 mixture of acetic acid and concentrated aqueous HCl. The solvents were removed under reduced pressure. The residue was partitioned between EtOAc (75 mL) and water (2×25 mL). The organic phase was separated, dried (MgSO4), filtered, and evaporated under reduced pressure to give 2-trifluoromethoxyphenylacetic acid as an amorphous solid (HPLC retention time=6.8 min (method A)). The solvents were removed under reduced pressure The residue was partitioned between EtOAc (75 mL) and water (2×25 mL) The organic phase was separated dried (MgSO4) filtered evaporated under reduced pressure
ソース ID: ord-3f72ce7fe7b946fda617964cd9132185反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: To a stirred solution of 2-trifluoromethoxybenzyl bromide (0.95 g, 3.9 mmol) from Step 2 above in DMF (5 mL) was added NaCN (0.21 g, 4.3 mmol). The mixture was stirred at ambient temperature for 14 h and the solvent was removed under reduced pressure. The residue was purified by pressurized silica gel column chromatography using 15% EtOAc-hexanes as eluant to give 2-trifluoromethoxyphenylacetonitrile as a colorless liquid (TLC Rf =0.6 (solvent)). the solvent was removed under reduced pressure The residue was purified by pressurized silica gel column chromatography
ソース ID: ord-cc26206a6ee54aebba59fbbb91db9e00反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: 2-(2-Trifluoromethoxy-benzyl)-4,5-dihydro-1H-imidazole was prepared from (2-trifluoromethoxy-phenyl)-acetonitrile and ethylene diamine in analogy to Example 19 b): yellow powder; MS (ISP): 245.0 ((M+H)+.).
ソース ID: ord-6001fe8fc7bf483686b87d98a170569cPubChem References
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