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1-Dodecanethiol → 10-Methoxyibogamine

HRID 332915
ノート
印刷プレビュー

反応式

HRID 332915 の反応式
[CH3:1][CH2:2][C@@H:3]1[C@@H:8]2[N:9]3[CH2:11][CH2:12][C:13]4[C:17]5[CH:18]=[C:19]([O:22][CH3:23])[CH:20]=[CH:21][C:16]=5[NH:15][C:14]=4[C@:7]2(C(OC)=O)[CH2:6][C@@H:5]([CH2:10]3)[CH2:4]1.C(S)CCCCCCCCCCC.CC(C)([O-])C.[Na+]>CN(C)C=O>[CH3:1][CH2:2][C@@H:3]1[C@@H:8]2[N:9]3[CH2:11][CH2:12][C:13]4[C:17]5[CH:18]=[C:19]([O:22][CH3:23])[CH:20]=[CH:21][C:16]=5[NH:15][C:14]=4[C@@H:7]2[CH2:6][C@@H:5]([CH2:10]3)[CH2:4]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

5

反応物 3

HCID 81951-DodecanethiolHCID 73255VoacangineHCID 23676156Sodium t-butoxide

生成物 1

HCID 44210810-Methoxyibogamine

試薬・触媒・溶媒 1

HCID 6228Dimethylformamide溶媒2 回

反応条件

温度
115 °C

実験手順

Resolved (+) voacangine (200 mg, 1 equivalent) and 1-dodecanethiol (1.5 equivalent) in dimethyl formamide (DMF, 1.2 mL) was added to a mixture of sodium tertiary butoxide (1.5 equivalent) in DMF (0.8 mL) at 100° C. and the reaction mixture stirred in the dark at 110-120° C. for 6 h and then at room temperature for about 12 h. Volatiles were removed in vacuum, and after aqueous work-up, (+) ibogaine was isolated by extraction with dichloromethane. The organic portion was washed with water and dried over MgSO4. Volatiles were removed to provide ibogaine as a foamy solid (140 mg). A solution of ibogaine thus obtained, in dichloromethane (DCM, 1.4 mL), was added to a 1 molar BBr3 (1.5 equivalent) solution in DCM at 0-5° C. over a 2 h period to provide a suspension, which was stirred at room temperature for 12 h. Then, the reaction mixture was cooled to 0-5° C. and MeOH (0.6 mL) was added to it drop wise over a period of 15 minutes and the resulting mixture stirred at room temperature for 12 h. Volatiles were removed in vacuum, and the residue was separated by column chromatography on silica gel using 5% MeOH/CHCl3 as the eluent to obtain (+) noribogaine (70 mg) as a foamy solid. Specific rotations determined for the naturally occurring (−) enantiomers, and the synthetic (+) enantiomers made according to this invention are tabulated below, which demonstrate the stereochemistry and enantiomeric purity of the synthetic enantiomers prepared according to this invention.

後処理

  1. waitat room temperature for about 12 h
  2. customVolatiles were removed in vacuum

出典と根拠

ORDレコード
ord-dcee20fca0c54c9aad1741143bdb9243
出典データセット
uspto-grants-2014_11
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08877921B2

反応ノート

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