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Carbon Dioxide → Glucuronic Acid

HRID 1942867
ノート
印刷プレビュー

反応式

HRID 1942867 の反応式
CC1(C)OC(=S)NC2C=CC(C3N(C)C(C#N)=CC=3)=CC1=2.[H-].[Na+].[C:24](=[O:26])=[O:25].CC([O:30][C@@H:31]1[C@@H:36]([O:37]C(C)=O)[C@@H](Br)[O:34][C@H:33]([C:42](OC)=[O:43])[C@H:32]1[O:46]C(C)=O)=O>CN(C)C=O>[O:37]=[CH:36][C@@H:31]([C@H:32]([C@@H:33]([C@@H:42]([C:24]([OH:26])=[O:25])[OH:43])[OH:34])[OH:46])[OH:30]
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 280Carbon DioxideHCID 24758Sodium hydrideHCID 88785Acetobromo-alpha-D-glucuronic acid methyl esterHCID 4369524Tanaproget

生成物 1

HCID 65041Glucuronic Acid

試薬・触媒・溶媒 1

HCID 6228Dimethylformamide溶媒3 回

実験手順

A solution of tanaproget (0.292 g, 1.0 mmol) in anhydrous dimethyl formamide (DMF) (10 mL) was added dropwise under a nitrogen atmosphere to a solution of sodium hydride (NaH) (0.052 g, 2.2 mmol) in DMF (50 mL) that was cooled to approximately −70° C. (dry ice). After stirring for 10 min, a solution of acetobromo-α-D-Glucuronic acid methyl ester (0.396 g, 1 mmol) in DMF (10 mL) was added dropwise. The reaction solution was then warmed to room temperature, and stirred for a total of 24 hours. After 24 hours, the reaction solution was partitioned between water (100 mL) and ethyl acetate (100 mL). The aqueous layer was extracted again with ethyl acetate (100 mL). The combined organic layers were washed with saturated sodium chloride (NaCl) solution (100 mL), dried (magnesium sulfate, MgSO4), and the solvent removed in vacuo. Aliquots of the crude material were chromatographed under low-pressure reversed-phase C18 (RediSep/ISCO, 125×25 mm ID, 40 μm particle size) conditions with a gradient of 50-95% acetonitrile/water. Fractions eluting with 75-80% acetonitrile/water contained the S-protected (D)-Glucuronic acid derivative (2) of tanaproget. A total of approximately 200 mg of (2) was obtained at 95% purity based on NMR spectroscopic analysis (32% isolated yield). All chemicals were purchased from Aldrich (Milwaukee, Wis.) and used without further purification or drying.

後処理

  1. stirringstirred for a total of 24 hours
  2. waitAfter 24 hours
  3. customthe reaction solution was partitioned between water (100 mL) and ethyl acetate (100 mL)
  4. extractionThe aqueous layer was extracted again with ethyl acetate (100 mL)
  5. washThe combined organic layers were washed with saturated sodium chloride (NaCl) solution (100 mL)
  6. dry with materialdried (magnesium sulfate, MgSO4)
  7. customthe solvent removed in vacuo
  8. customAliquots of the crude material were chromatographed under low-pressure reversed-phase C18 (RediSep/ISCO, 125×25 mm ID, 40 μm particle size) conditions with a gradient of 50-95% acetonitrile/water
  9. washFractions eluting with 75-80% acetonitrile/water

出典と根拠

ORDレコード
ord-24dfb7f1be8442a8bf6e795e6900a04f
出典データセット
uspto-grants-2013_03
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08389698B2

反応ノート

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