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Water → Methyl 1-formylcyclopentanecarboxylate

HRID 617620
ノート
印刷プレビュー

反応式

HRID 617620 の反応式
[C:1]([C:3]1([C:8]([O:10][CH3:11])=[O:9])[CH2:7][CH2:6][CH2:5][CH2:4]1)#N.[OH2:12]>[Ni].C(O)=O>[CH:1]([C:3]1([C:8]([O:10][CH3:11])=[O:9])[CH2:7][CH2:6][CH2:5][CH2:4]1)=[O:12]
参加物反応条件実験手順後処理出典と根拠反応ノート

参加物

5

反応物 2

HCID 962WaterHCID 22736532Methyl 1-cyanocyclopentane-1-carboxylate

生成物 1

HCID 10931680Methyl 1-formylcyclopentanecarboxylate収率 69%

試薬・触媒・溶媒 2

HCID 935Nickel触媒HCID 284Formic Acid溶媒

反応条件

温度
45 °C

実験手順

To a 12 L flask equipped with a mechanical stirrer, thermometer and condenser containing a nitrogen inlet was added Raney nickel (1 kg, 50% slurry in water, as sold by the Aldrich Chemical Co.). This material was washed with distilled water and decanted (3×0.8 L). Formic acid (88% 7 L) was added (stirring started) followed by a solution of methyl 1-cyanocyclopentanecarboxylate (696 g, 4.54 mol) in formic acid (88%, 1 L). Gas evolved and the exothermic mixture (temperature increased to 45° C.) was stirred at 75° C. for 5 h. After the reaction mixture cooled to room temperature and the catalyst settled, the majority of the solvent was decanted off through a fiberglass filter. The residue was mixed with water (6 L) and filtered. The collected solid was washed with water (1 L) and CH2Cl2 (1 L) and all the filtrates were combined. The aqueous phase was separated and extracted with CH2Cl2 (6 L), and the combined organic phases were washed with saturated aqueous NaHCO3 and brine. Drying (MgSO4), filtering, and concentrating afforded material that was immediately distilled (Vigreux® column, fraction boiling at 93° C., 16 mm Hg collected) to provide methyl 1-formylcyclopentanecarboxylate as a clear colorless liquid (491 g, 69% yield). 1H-NMR (400 MHz, CDCl3) δ 9.65 (s, 1 H), 3.76 (s, 3 H), 2.19-2.04 (m, 4 H), 1.78-1.58 (m, 4 H); 13C NMR (100.6 MHz, CDCl3) δ 197.0, 172.6, 64.3, 51.9, 31.0, 25.3; EI-MS exact mass calcd for: C8H13O3 ; 157.0865; found: 157.0864. This compound has been reported previously by C. R. Davis et al., J. Org. Chem. 1993, 58, 6843.

後処理

  1. customTo a 12 L flask equipped with a mechanical stirrer
  2. additionthermometer and condenser containing a nitrogen inlet
  3. washThis material was washed with distilled water
  4. customdecanted (3×0.8 L)
  5. additionFormic acid (88% 7 L) was added
  6. stirringwas stirred at 75° C. for 5 h
  7. temperatureAfter the reaction mixture cooled to room temperature
  8. customthe majority of the solvent was decanted off through a fiberglass
  9. filtrationfilter
  10. additionThe residue was mixed with water (6 L)
  11. filtrationfiltered
  12. washThe collected solid was washed with water (1 L) and CH2Cl2 (1 L) and all the filtrates
  13. customThe aqueous phase was separated
  14. extractionextracted with CH2Cl2 (6 L)
  15. washthe combined organic phases were washed with saturated aqueous NaHCO3 and brine
  16. dry with materialDrying (MgSO4)
  17. filtrationfiltering
  18. concentrationconcentrating
  19. customafforded material that
  20. distillationwas immediately distilled
  21. custom(Vigreux® column, fraction boiling at 93° C., 16 mm Hg collected)

出典と根拠

ORDレコード
ord-ceeaca28ceda4312ae2aedd7739e338d
出典データセット
uspto-grants-1999_09
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US05948935

反応ノート

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