反応 #89112

ord-77be966ea20343d3bb2051fe730af52b

反応方程式

CCOC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
(Carbethoxymethylene)triphenylphosphorane
OC1OCC2CCCCC21
octahydroisobenzofuran-1-ol
CCOC(=O)/C=C/C1CCCCC1CO
(E)-ethyl 3-(2-(hydroxymethyl)cyclohexyl)acrylate

反応条件

温度
85°CELSIUS
詳細条件
See reaction.notes.procedure_details.

後処理

  1. 1
    その他was used for next step without further purification
  2. 2
    その他Acetonitrile was removed in vacuo
  3. 3
    workup.ADDITIONthe resulting residue was diluted with ether which
  4. 4
    ろ過The white precipitate was filtered off
  5. 5
    洗浄washed with cold ether
  6. 6
    濃縮concentrated in vacuo
  7. 7
    その他to give crude product which
  8. 8
    その他was purified by chromatograph

実験手順

DIBAL-H (1M in toluene) (35.2 mmol, 35.2 mL) was added dropwise to a solution of hexahydroisobenzofuran-1(3H)-one (33.5 mol, 4.7 g) in anhydrous ether (100 mL) at −10° C. under argon. The resulting mixture was stirred at −10° C. for 30 min under argon and quenched with MeOH (30 mL). The mixture was stirred at rt for overnight and the resulting suspension was added saturated Rochelle's salt aqueous solution and stirred for additional 30 min at rt. The organic layer was separated and washed with saturated Rochelle's salt aqueous solution. The combined aqueous layer was extracted with ether (3×). The organic layer were combined, dried with dried with MgSO4 and concentrated in vacuo to give lactol octahydroisobenzofuran-1-ol which was used for next step without further purification. (Carbethoxymethylene)triphenylphosphorane (17.7 g, 50.7 mmol) was added to a solution of the above described octahydroisobenzofuran-1-ol in acetonitrile (100 mL) and the resulting mixture was refluxed at 85° C. overnight. Acetonitrile was removed in vacuo and the resulting residue was diluted with ether which was stirred at rt for 2 h. The white precipitate was filtered off and washed with cold ether. All ether portion was combined and concentrated in vacuo to give crude product which was purified by chromatograph to afford desired (E)-ethyl 3-(2-(hydroxymethyl)cyclohexyl)acrylate as colorless oil (Y: 78.9% over two steps). 1H NMR (CDCl3, 400 MHz) δ 7.12-7.05 (m, 1H), 5.80 (d, 1H), 4.15-4.09 (m, 2H), 3.40-3.37 (m, 2H), 2.63-2.59 (m, 1H), 1.80-1.29 (m, 9H), 1.25-1.19 (m, 3H).

出典

DOI: 10.6084/m9.figshare.5104873.v1特許: US09440982B2uspto-grants-2016_09