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Citric Acid → (2S,4R)-1-(2-{[(benzyloxy)carbonyl]amino}acetyl)-4-hydroxypyrrolidine-2-carboxylic acid

HRID 250800
ノート
印刷プレビュー

反応式

HRID 250800 の反応式
[OH:1][C@H:2]1[CH2:6][NH:5][C@H:4]([C:7]([OH:9])=[O:8])[CH2:3]1.C(=O)([O-])O.[Na+].ON1C(=O)CCC1=O.[C:23]([O:27][C:28]([NH:30][CH2:31][C:32]([OH:34])=O)=[O:29])([CH3:26])(C)C.[C:35](O)(=O)[CH2:36][C:37]([CH2:42][C:43](O)=O)(C(O)=O)O>O.O1CCOCC1>[CH2:23]([O:27][C:28]([NH:30][CH2:31][C:32]([N:5]1[CH2:6][C@H:2]([OH:1])[CH2:3][C@H:4]1[C:7]([OH:9])=[O:8])=[O:34])=[O:29])[C:26]1[CH:43]=[CH:42][CH:37]=[CH:36][CH:35]=1
参加物実験手順後処理出典と根拠反応ノート

参加物

7

反応物 4

HCID 311Citric AcidHCID 5810L-HydroxyprolineHCID 516892Sodium BicarbonateHCID 22022511N-tert-butyloxycarbonylglycine N-hydroxysuccinimide

生成物 1

HCID 58088404(2S,4R)-1-(2-{[(benzyloxy)carbonyl]amino}acetyl)-4-hydroxypyrrolidine-2-carboxylic acid収率 100%

試薬・触媒・溶媒 2

HCID 962
Water
溶媒
2 回
HCID 312751,4-Dioxane溶媒

実験手順

3,4-Dehydroproline 1 (0.011 g, 0.097 mmol) and sodium hydrogen carbonate (0.0082 g, 0.097 mmol) were dissolved in water (1 cm3). A solution of N-tert-butyloxycarbonylglycine N-hydroxysuccinimide 2 (0.024 g, 0.088 mmol) in dioxane (1 cm3) was added dropwise and stirred overnight. The reaction mixture was diluted with water, acidified with solid citric acid and extracted with dichloromethane (3×). The combined organic layers were dried (MgSO4), filtered and the solvent removed to afford crude acid 3 (0.0242 g, ca. 100%) that was used without further purification. Acid 3 was shown to be a 75:25 trans:cis mixture of conformers by 1H NMR analysis (the ratio was estimated from the integration of the Proα protons at δ 5.21 and 5.13 of the major and minor conformers respectively): δH (300 MHz; CDCl3; Me4Si) 1.411 [2.25H, s, C(CH3)3], 1.42 [6.75H, s, C(CH3)3], 3.83-4.08 (2H, m, Glyα-H2), 4.25-4.45 (2H, m, Proδ-H2), 5.13* (0.25H, br d, J 2.8, Pros-H), 5.21 (0.75H, br d, J 3.1, Proα-H), 5.55-5.80 (2H, br m, O—H and N—H) and 5.86-6.02 (2H, m, Proβ-H and Proγ-H).

後処理

  1. extractionextracted with dichloromethane (3×)
  2. dry with materialThe combined organic layers were dried (MgSO4)
  3. filtrationfiltered
  4. customthe solvent removed

出典と根拠

ORDレコード
ord-91cfb877ddec4ee8a3ea2174fa2ecf2a
出典データセット
uspto-grants-2011_01
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07863304B2

反応ノート

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