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Edetate Sodium → Anecortave Acetate

HRID 65342
ノート
印刷プレビュー

反応式

HRID 65342 の反応式
[OH:1][C@:2]1([C@:28]2([CH3:29])[C@H:14]([C@H:15]3[C:25](=[CH:26][CH2:27]2)[C@:23]2([CH3:24])[C:18](=[CH:19][C:20](=[O:30])[CH2:21][CH2:22]2)[CH2:17][CH2:16]3)[CH2:13][CH2:12]1)[C:3]([O:5]C1C=CC=CC=1)=[CH2:4].[OH-].[K+].OOS([O-])=O.[K+].OS([O-])(=O)=O.[K+].C(CN(CC([O-])=O)CC([O-])=O)N(CC([O-])=O)[CH2:47][C:48]([O-:50])=[O:49].[Na+].[Na+].[Na+].[Na+].C(OC(=O)C)(=O)C.C(N(CC)CC)C>P([O-])([O-])([O-])=O.[K+].[K+].[K+].O.CC(C)=O>[OH:1][C@:2]1([C@:28]2([CH3:29])[C@H:14]([C@H:15]3[C:25](=[CH:26][CH2:27]2)[C@:23]2([CH3:24])[C:18](=[CH:19][C:20](=[O:30])[CH2:21][CH2:22]2)[CH2:17][CH2:16]3)[CH2:13][CH2:12]1)[C:3](=[O:4])[CH2:5][O:50][C:48](=[O:49])[CH3:47]
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

11

反応物 7

HCID 6144Edetate Sodium2 回HCID 7918Acetic AnhydrideHCID 8471TriethylamineHCID 14797Potassium HydroxideHCID 516920Potassium bisulfateHCID 1382382517alpha-Hydroxy-20-phenoxypregna-4,9(11),20-trien-3-oneHCID 23707502
Potassium hydroxy sulfite

生成物 1

HCID 111332Anecortave Acetate

試薬・触媒・溶媒 3

HCID 180Acetone溶媒HCID 962Water溶媒2 回HCID 62657Potassium Phosphate, Tribasic溶媒

反応条件

温度
35 °C

実験手順

17α-hydroxy-20-phenoxy-pregna-4,9(11), 20-trien-3-one (20.0 grams, 49.5 mmoles) is slurried in a mixture of pH 8 potassium phosphate buffer (100 ml, 0.1M PO4 ≡) and water (100 ml). Acetone (20 ml) methylene chloride (200 ml) and polyethylene glycol (3.0 g avg. MW=300) are added and the two phase mixture heated to 35° C. and adjusted to pH 8.5 with potassium hydroxide. OXONE® (2KHSO5.KHSO4.K2SO4), 30 g, 48.8 mmoles) is dissolved in water (110 ml) containing (10 ml of a 5% by weight solution of sodium edetate) and the (Na4EDTA) solution added dropwise over 1 hour with vigorous agitation while maintaining the pH at 8.3 to 8.5 When the reaction is complete, the phases are separated hot and the aqueous phase extracted twice with 50 ml of methylene chloride. The combined organics are washed twice with 100 ml of aqueous 5% sodium hydroxide and clarified thru through solka flok (10 g). The solvent is removed by distillation and replaced with tetrahydrofuran to a final volume of 150 ml. Water (3 ml) containing fluoboric acid (0.3 ml of 50%) is added to hydrolyze the epoxide at 45-50° C. After 1 hour, acetic anhydride (30 ml, 318 mmoles), triethylamine (0.35 ml, 2.63 mmoles) and N,N-dimethylaminopyridine (0.1 g, 0.47 mmoles) are added at 55° C. to acetylate the 21-alcohol. When complete, tetrahydrofuran is replaced with acetone by atmospheric distillation to a final volume of 100 ml. 17α-hydroxy-21-acetoxypregna-4,9(11)-diene-3,20-dione was isolated by filtration and drying under vacuum at 60° to yield 16.7 g.

後処理

  1. additionadded dropwise over 1 hour with vigorous agitation
  2. temperaturewhile maintaining the pH at 8.3 to 8.5 When the reaction
  3. customthe phases are separated hot
  4. extractionthe aqueous phase extracted twice with 50 ml of methylene chloride
  5. washThe combined organics are washed twice with 100 ml of aqueous 5% sodium hydroxide
  6. customThe solvent is removed by distillation
  7. additionWater (3 ml) containing fluoboric acid (0.3 ml of 50%)
  8. additionis added
  9. customat 45-50° C
  10. distillationWhen complete, tetrahydrofuran is replaced with acetone by atmospheric distillation to a final volume of 100 ml

出典と根拠

ORDレコード
ord-47e946d0d69a440aabc42fb489a75427
出典データセット
uspto-grants-1986_09
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US04613463

反応ノート

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