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Diethyl Malonate → Diethyl 2-(cyclopropylmethyl)malonate

HRID 1530692
ノート
印刷プレビュー

反応式

HRID 1530692 の反応式
C(OCC)(=O)CC(OCC)=O.[H-].[Na+].C1(CBr)CC1.[CH2:19]([O:21][C:22](=[O:33])[CH:23]([CH2:29][CH2:30][CH:31]=[CH2:32])[C:24]([O:26][CH2:27][CH3:28])=[O:25])[CH3:20]>C1COCC1>[CH2:19]([O:21][C:22](=[O:33])[CH:23]([CH2:29][CH:30]1[CH2:32][CH2:31]1)[C:24]([O:26][CH2:27][CH3:28])=[O:25])[CH3:20]
参加物実験手順後処理出典と根拠反応ノート

参加物

6

反応物 4

HCID 7761Diethyl MalonateHCID 24758Sodium hydrideHCID 81503BromomethylcyclopropaneHCID 594682Diethyl 2-(3-butenyl)malonate

生成物 1

HCID 11564752Diethyl 2-(cyclopropylmethyl)malonate

試薬・触媒・溶媒 1

HCID 8028Tetrahydrofuran溶媒

実験手順

To an ice-cooled solution of diethyl malonate (3.0 g, 18.7 mmol) in THF (30 mL) was added, portionwise over 15 min, sodium hydride (0.824 g, 60% in oil, 20.6 mmol). The mixture was stirred at RT for 30 min, and then cooled in an ice bath. Cyclopropylmethyl bromide (2.36 mL, 24.3 mmol) was added and the reaction mixture stirred at RT for 1 h and then refluxed for 6 h. The cooled mixture was concentrated in vacuo, the residue was partitioned between diethyl ether and dilute aqueous NH4Cl; and the aqueous phase was extracted with diethyl ether. The combined organic phases were washed with brine, then dried (Na2SO4) and concentrated in vacuo. The resulting residue was purified by column chromatography (Si-PCC, gradient 2-8% EtOAc in cyclohexane) affording a mixture of the title compound and 2-but-3-enylmalonic acid diethyl ester (3.24 g, 10:1 ratio respectively). This mixture was dissolved in DCM (150 mL) and a solution of mCPBA (0.77 g, 4.46 mmol) in DCM (5 mL) added. The reaction mixture was stirred at RT for 16 h, and then washed with a saturated solution of NaHCO3, dried (Na2SO4) and concentrated in vacuo. The resulting residue was purified by column chromatography (Si-PCC, gradient 2-8% EtOAc in cyclohexane) affording the title compound as a colourless oil (2.68 g, 67%). 1H NMR (CDCl3, 300 MHz): δ 4.20 (4H, q, J=7.1 Hz), 3.44 (1H, t, J=7.5 Hz), 1.81 (2H, t, J=7.3 Hz), 1.27 (6H, t, J=7.1 Hz), 0.80-0.67 (1H, m), 0.48-0.42 (2H, m), 0.12-0.07 (2H, m).

後処理

  1. additionwas added, portionwise over 15 min
  2. temperaturecooled in an ice bath
  3. stirringthe reaction mixture stirred at RT for 1 h
  4. temperaturerefluxed for 6 h
  5. concentrationThe cooled mixture was concentrated in vacuo
  6. customthe residue was partitioned between diethyl ether and dilute aqueous NH4Cl
  7. extractionand the aqueous phase was extracted with diethyl ether
  8. washThe combined organic phases were washed with brine
  9. dry with materialdried (Na2SO4)
  10. concentrationconcentrated in vacuo
  11. customThe resulting residue was purified by column chromatography (Si-PCC, gradient 2-8% EtOAc in cyclohexane)
  12. customaffording

出典と根拠

ORDレコード
ord-101fb2a15ed14a71b1212e3828efca0b
出典データセット
uspto-grants-2015_07
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09090628B2

反応ノート

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