ホームMCPワークベンチSkills
ホームワークベンチ通知マイページ
llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.8.0
  1. ホーム
  2. /反応

Sulfuric Acid → (5S)-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-one

HRID 440087
ノート
印刷プレビュー

反応式

HRID 440087 の反応式
[CH3:1][C:2](=[N:4][OH:5])[CH3:3].C([Li])CCC.CO[C:13](=O)[C@@H:14]1[CH2:18][CH2:17][C:16](=[O:19])[NH:15]1.S(=O)(=O)(O)O>C1COCC1.O>[CH3:1][C:2]1[CH:3]=[C:13]([C@H:14]2[NH:15][C:16](=[O:19])[CH2:17][CH2:18]2)[O:5][N:4]=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 1118Sulfuric AcidHCID 67180Acetone, oximeHCID 78646Methyl 5-oxo-L-prolinate2 回HCID 178418339Butyllithium

生成物 1

HCID 11094992(5S)-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-one収率 46%

試薬・触媒・溶媒 2

HCID 962Water溶媒
HCID 8028
Tetrahydrofuran
溶媒
2 回

実験手順

To a cooled (0°-5° C.) solution of acetone oxime (11.74 g, 160.8 mmol) in THF (200 mL) was slowly added n-butyl lithium (128.6 mL, 2.5M, 321.6 mmol) in hexanes. After being stirred at 0°-5° C. for one hour, a solution of pyroglutamic methyl ester (10.0 g, ~69.9 mmol, the product of step 13a) in THF (50 mL) was added. After stirring for 4 hr, the solution was allowed to slowly warm up to room temperature, and the stirring was continued for 16 hr. Sulfuric acid (35 g, 98%) was slowly added with cooling, followed by the addition of water (35 mL). The resulting mixture was refluxed for one hour. The organic layer was decanted and the slurry was washed with ethyl acetate (5×50 mL). To the mixture was added ethyl acetate (400 mL) and sodium carbonate until basic. Again, the organic layer was decanted and the slurry was washed with ethyl acetate (4×20 mL). The combined organics were then dried over magnesium sulfate. Evaporation of the solvents gave the title product (5.33 g, 46%), which was taken directly to the next step. HPLC (analytical Chiralark AD column) analysis indicated >99.6% ee.

後処理

  1. stirringAfter stirring for 4 hr
  2. waitthe stirring was continued for 16 hr
  3. temperaturewith cooling
  4. temperatureThe resulting mixture was refluxed for one hour
  5. customThe organic layer was decanted
  6. washthe slurry was washed with ethyl acetate (5×50 mL)
  7. additionTo the mixture was added ethyl acetate (400 mL) and sodium carbonate until basic
  8. customAgain, the organic layer was decanted
  9. washthe slurry was washed with ethyl acetate (4×20 mL)
  10. dry with materialThe combined organics were then dried over magnesium sulfate
  11. customEvaporation of the solvents

出典と根拠

ORDレコード
ord-45f0317bb3bc400ca8ae33de43bf8270
出典データセット
uspto-grants-1996_05
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US05516912

反応ノート

読み込み中…

このページの内容参加物実験手順後処理出典と根拠反応ノート