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Ethyl Acetate → 1294481-80-3

HRID 2168577
ノート
印刷プレビュー

反応式

HRID 2168577 の反応式
[Cl:1][C:2]1[CH:29]=[CH:28][C:5]([C:6]([O:8][CH2:9][C@@H:10]2[C@@H:14]([O:15][C:16](=[O:24])[C:17]3[CH:22]=[CH:21][C:20]([Cl:23])=[CH:19][CH:18]=3)[C@:13]([F:26])([CH3:25])[C:12](=[O:27])[O:11]2)=[O:7])=[CH:4][CH:3]=1.C(O[AlH-](OC(C)(C)C)OC(C)(C)C)(C)(C)C.[Li+].C(OCC)(=O)C.[Cl-].[NH4+]>C1COCC1.CO.O>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([C:6]([O:8][CH2:9][C@@H:10]2[C@@H:14]([O:15][C:16](=[O:24])[C:17]3[CH:22]=[CH:21][C:20]([Cl:23])=[CH:19][CH:18]=3)[C@:13]([F:26])([CH3:25])[C@H:12]([OH:27])[O:11]2)=[O:7])=[CH:28][CH:29]=1
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

8

反応物 4

HCID 8857Ethyl AcetateHCID 25517Ammonium ChlorideHCID 16684435Lithium tritertbutoxyaluminohydrideHCID 53304767{(2R,3R,4R)-3-[(4-Chlorobenzoyl)oxy]-4-fluoro-4-methyl-5-oxooxolan-2-yl}methyl 4-chlorobenzoate

生成物 1

HCID 533047681294481-80-3

試薬・触媒・溶媒 3

HCID 887
Methanol
溶媒
HCID 962Water溶媒
HCID 8028Tetrahydrofuran溶媒

反応条件

温度
-20 °C

実験手順

To a 1 liter dry round-bottomed flask was loaded ((2R,3R,4R)-3-(4-chlorobenzoyloxy)-4-fluoro-4-methyl-5-oxotetrahydrofuran-2-yl)methyl 4-chlorobenzoate (1b, 50.0 g, 113 mmol) and the solid was dissolved in anhydrous THF (200 mL). The solution was cooled to −20° C. Lithium tri-tert-butoxyaluminohydride (1.0 M in THF) (170 mL, 170 mmol) was added via an addition funnel over 20 min and the resulting mixture was stirred for an additional one hour at −20° C. Ethyl acetate (120 mL) was added and the mixture was allowed to warm up slowly to 0° C. Sat. aq ammonium chloride (4.5 mL) was added. The mixture was concentrated under reduced pressure and then diluted with EtOAc (500 mL). Aqueous HCl (3 N, 300 mL) was added to dissolve all solids. After separation, the organic layer was washed with water (2×200 mL), brine (100 mL), and dried over sodium sulfate. The organic layer was concentrated under reduced pressure to furnish an amorphous solid. The solid was dissolved in methanol (169 mL) heated to reflux. After cooling to room temperature, water was added portionwise (37 mL total) until a slightly turbid mixture formed. After standing, the precipitated β-lactol product was filtered and washed with methanol (2×20 mL) and dried (0.2 mmHg, 50° C., 17 h) to 30.5 g (61%) of an off-white solid with an anomeric ratio of β/α>35:1. 1NMR (DMSO-d6): δ 7.95 (m, 2H, arom.), 7.90 (m, 2H, arom.), 7.61 (m, 2H, arom.), 7.51 (m, 2H, arom.), 7.31 (dd, 1H, C1-H, J=5.2 Hz, J=0.8 Hz), 5.50 (dd, 1H, C3-H, J=24 Hz, J=7.2 Hz), 5.19 (dd, 1H, C4-H, J=10.8 Hz, J=5.6 Hz), 4.56 (m, 1H, C5-Ha), 4.42 (m, 2H, C5-Hb and OH), 1.42 (d, 3H, CH3, J=22.8 Hz).

後処理

  1. customTo a 1 liter dry round-bottomed flask was loaded
  2. temperatureto warm up slowly to 0° C
  3. concentrationThe mixture was concentrated under reduced pressure
  4. additiondiluted with EtOAc (500 mL)
  5. additionAqueous HCl (3 N, 300 mL) was added
  6. dissolutionto dissolve all solids
  7. customAfter separation
  8. washthe organic layer was washed with water (2×200 mL), brine (100 mL)
  9. dry with materialdried over sodium sulfate
  10. concentrationThe organic layer was concentrated under reduced pressure
  11. customto furnish an amorphous solid
  12. temperatureheated to reflux
  13. temperatureAfter cooling to room temperature
  14. customformed
  15. filtrationthe precipitated β-lactol product was filtered
  16. washwashed with methanol (2×20 mL)
  17. dry with materialdried (0.2 mmHg, 50° C., 17 h) to 30.5 g (61%) of an off-white solid with an anomeric ratio of β/α>35:1

出典と根拠

ORDレコード
ord-8c54ce586b274e3db5a2006fd1c54d7a
出典データセット
uspto-grants-2015_06
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09045520B2

反応ノート

読み込み中…

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