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Tetrahydrofuran → (S)-3-((S)-cyclopropylhydroxymethyl)pyrrolidine-1-carboxylic acid t-butyl ester

HRID 1671382
ノート
印刷プレビュー

反応式

HRID 1671382 の反応式
[C:1]([O:5][C:6]([N:8]1[CH2:12][CH2:11][C@H:10]([CH:13]=[O:14])[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[CH2:15]1[CH2:19]OC[CH2:16]1.[CH:20]1([Mg]Br)[CH2:22][CH2:21]1>[NH4+].[Cl-]>[C:1]([O:5][C:6]([N:8]1[CH2:12][CH2:11][C@H:10]([C@@H:13]([CH:16]2[CH2:15][CH2:19]2)[OH:14])[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[C:1]([O:5][C:6]([N:8]1[CH2:12][CH2:11][C@H:10]([C@H:13]([CH:20]2[CH2:22][CH2:21]2)[OH:14])[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2]
参加物反応条件実験手順後処理出典と根拠反応ノート

参加物

6

反応物 3

HCID 8028Tetrahydrofuran2 回HCID 1514343(S)-tert-butyl 3-formylpyrrolidine-1-carboxylateHCID 178418630HCID 178418630、化合物

生成物 2

HCID 66890044(S)-3-((S)-cyclopropylhydroxymethyl)pyrrolidine-1-carboxylic acid t-butyl esterHCID 66891333(S)-3-((R)-cyclopropylhydroxymethyl)pyrrolidine-1-carboxylic acid t-butyl ester

試薬・触媒・溶媒 1

HCID 25517Ammonium Chloride溶媒

反応条件

温度
-78 °C

実験手順

(S)-3-Formyl-pyrrolidine-1-carboxylic acid t-butyl ester (1.0 g, 5 mmol) and THF (10 mL, 100 mmol) were combined under nitrogen, and the resulting solution was cooled to −78° C. 0.5M Cyclopropylmagnesium bromide in THF (15 mL, 7.5 mmol) was then added dropwise over 10 minutes. The mixture was allowed to warm to room temperature slowly overnight. Then aqueous saturated NH4Cl (30 mL) was added dropwise to quench the reaction. The resulting mixture was extracted with EtOAc (2×30 mL), and the combined organic layers were washed with saturated aqueous NaHCO3 (1×30 mL) and saturated aqueous NaCl (1×30 mL), then dried over anhydrous MgSO4, filtered, and concentrated in vacuo. The crude product was purified by preparative HPLC (15-55% MeCN:H2O+0.05% TFA over 80 minutes) on a 2″ column to yield (S)-3-((R)-cyclopropylhydroxymethyl)pyrrolidine-1-carboxylic acid t-butyl ester (520 mg, 2nd eluting peak) and (S)-3-((S)-cyclopropylhydroxymethyl)pyrrolidine-1-carboxylic acid t-butyl ester (418 mg, 1st eluting peak). The lyophilized solids were dissolved in EtOAc and washed with saturated aqueous NH4CO3, the organics were separated, dried over Na2SO4 and the solvent was removed under reduced pressure.

後処理

  1. temperatureto warm to room temperature slowly overnight
  2. customto quench
  3. customthe reaction
  4. extractionThe resulting mixture was extracted with EtOAc (2×30 mL)
  5. washthe combined organic layers were washed with saturated aqueous NaHCO3 (1×30 mL) and saturated aqueous NaCl (1×30 mL)
  6. dry with materialdried over anhydrous MgSO4
  7. filtrationfiltered
  8. concentrationconcentrated in vacuo
  9. customThe crude product was purified by preparative HPLC (15-55% MeCN:H2O+0.05% TFA over 80 minutes) on a 2″ column

出典と根拠

ORDレコード
ord-dfcfa302ee044eb48899fc2ea6d32cd1
出典データセット
uspto-grants-2011_08
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07994209B2

反応ノート

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