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Gabapentin → Boc-Asp(OMe) Gabapentin

HRID 28765
ノート
印刷プレビュー

反応式

HRID 28765 の反応式
[NH:1]([C:11]([O:13][C:14]([CH3:17])([CH3:16])[CH3:15])=[O:12])[C@H:2]([C:8]([OH:10])=[O:9])[CH2:3][C:4](=[O:7])[O:5][CH3:6].ON1C(=O)CCC1=O.[CH2:26]1[CH2:31][CH2:30][C:29]([CH2:36][NH2:37])([CH2:32][C:33]([OH:35])=[O:34])[CH2:28][CH2:27]1.C(=O)([O-])O.[Na+]>C(#N)C>[NH:1]([C:11]([O:13][C:14]([CH3:17])([CH3:16])[CH3:15])=[O:12])[C@H:2]([C:8]([OH:10])=[O:9])[CH2:3][C:4](=[O:7])[O:5][CH3:6].[CH2:26]1[CH2:27][CH2:28][C:29]([CH2:36][NH2:37])([CH2:32][C:33]([OH:35])=[O:34])[CH2:30][CH2:31]1
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 3446GabapentinHCID 80170N-HydroxysuccinimideHCID 516892Sodium BicarbonateHCID 10977771(2S)-2-{[(tert-butoxy)carbonyl]amino}-4-methoxy-4-oxobutanoic acid

生成物 1

HCID 131727013Boc-Asp(OMe) Gabapentin収率 98%

試薬・触媒・溶媒 1

HCID 6342
Acetonitrile
溶媒

実験手順

To a solution of Boc-Asp(OMe)-OH (5 g, 20 mmol) in acetonitrile (100 mL) was added N-hydroxysuccinimide (2.53 g, 22 mmol) and N,N-dicyclohexylcarbodiimide (4.5 g, 22 mmol). The reaction was stirred at ambient temperature for 4 h. The reaction mixture was filtered directly into an aqueous solution (100 mL) of gabapentin (3.77 g, 22 mmol) and sodium hydrogencarbonate (1.85 g, 22 mmol) and the resulting mixture stirred at ambient temperature for 16 h. The reaction was concentrated under reduced pressure, the residue dissolved in ethyl acetate/diethyl ether (1:1, 300 mL) and washed with 0.1M aqueous potassium hydrogensulfate (2×500 mL). The organic phase was separated, dried over Na2SO4, filtered, and concentrated to dryness under reduced pressure to afford Boc-Asp(OMe)-Gabapentin as a white solid (7.8 g, 19.5 mmol, 98%).

後処理

  1. stirringthe resulting mixture stirred at ambient temperature for 16 h
  2. concentrationThe reaction was concentrated under reduced pressure
  3. dissolutionthe residue dissolved in ethyl acetate/diethyl ether (1:1, 300 mL)
  4. washwashed with 0.1M aqueous potassium hydrogensulfate (2×500 mL)
  5. customThe organic phase was separated
  6. dry with materialdried over Na2SO4
  7. filtrationfiltered
  8. concentrationconcentrated to dryness under reduced pressure

出典と根拠

ORDレコード
ord-a5352857d5b9435d9c482e161179277d
出典データセット
uspto-grants-2008_09
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07420002B2

反応ノート

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