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Thiophenol → Desmetramadol

HRID 6564
ノート
印刷プレビュー

反応式

HRID 6564 の反応式
[H-].[K+].C1(S)C=CC=CC=1.[CH3:10][N:11]([CH2:13][C@H:14]1[C@:19]([OH:28])([C:20]2[CH:25]=[CH:24][CH:23]=[C:22]([O:26]C)[CH:21]=2)[CH2:18][CH2:17][CH2:16][CH2:15]1)[CH3:12]>C(O)COCCO>[CH3:12][N:11]([CH2:13][C@@H:14]1[C@@:19]([OH:28])([C:20]2[CH:25]=[CH:24][CH:23]=[C:22]([OH:26])[CH:21]=2)[CH2:18][CH2:17][CH2:16][CH2:15]1)[CH3:10]
参加物実験手順後処理出典と根拠反応ノート

参加物

5

反応物 3

HCID 7969ThiophenolHCID 82127Potassium hydrideHCID 667511(-)-(S,S)-trans-Tramadol

生成物 1

HCID 9838803Desmetramadol

試薬・触媒・溶媒 1

HCID 8117Diethylene Glycol溶媒3 回

実験手順

First, O-desmethyl tramadol was prepared as set forth hereinafter. Diethylene glycol (125 mL) was added with cooling to potassium hydride (9.5 g) with the temperature being maintained at <50° C. To the solution was added thiophenol (10 mL) dissolved in diethylene glycol (25 mL), and then (−)-tramadol as the free base (9.3 g) in diethylene glycol (50 mL) was added. The final reaction mixture was heated slowly to reflux for 45 minutes. The mixture was cooled and then quenched into water. The pH was adjusted to about 3, and the mixture was extracted with ethyl ether. The pH was readjusted to about 8 and the resulting mixture was extracted 5 more times with methylene chloride. The extract was dried and the methylene chloride was evaporated to yield 4.6 g of the title compound as an oil. The oil was distilled (Kugelrohr), dissolved in tetrahydrofuran, treated with an ethanol/HCl solution to give 2.3 g of the salt. The salt was recrystallized from ethanol/ethyl ether and dried to yield 1.80 g of the salt of the (−) enantiomer of O-desmethyl tramadol (mp. 242°-3° C.), [α]D25=−32.9 (C=1, EtOH).

後処理

  1. temperaturebeing maintained at <50° C
  2. customThe final reaction mixture
  3. temperaturewas heated slowly
  4. temperatureto reflux for 45 minutes
  5. temperatureThe mixture was cooled
  6. customquenched into water
  7. extractionthe mixture was extracted with ethyl ether
  8. extractionthe resulting mixture was extracted 5 more times with methylene chloride
  9. customThe extract was dried
  10. customthe methylene chloride was evaporated

出典と根拠

ORDレコード
ord-3d2de9dc77a241a391535aaa38779401
出典データセット
uspto-grants-2006_08
DOI
10.6084/m9.figshare.5104873.v1
特許番号
USRE039221E1

反応ノート

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