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Hydrochloric Acid → methyl 3-benzyl-1,2,3,3a,4,5-hexahydro-4-(3-hydroxypropyl)-7H-pyrrolo(2,3-d)carbazole-6-carboxylate

HRID 1905061
ノート
印刷プレビュー

反応式

HRID 1905061 の反応式
[CH2:1]1[C:14]2[C:13]3[CH:12]=[CH:11][CH:10]=[CH:9][C:8]=3[NH:7][C:6]=2[CH:5]([C:15]([O:17][CH3:18])=[O:16])[CH2:4][NH:3][CH2:2]1.Cl.O[CH:21]1[CH2:26][CH2:25][CH2:24][CH2:23][O:22]1.[NH4+].[OH-].[CH2:29](Br)[C:30]1[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=1>CO.C1COCC1.CO.C(Cl)Cl.O>[CH2:29]([N:3]1[CH:21]2[CH:26]([CH2:25][CH2:24][CH2:23][OH:22])[CH2:4][C:5]([C:15]([O:17][CH3:18])=[O:16])=[C:6]3[NH:7][C:8]4[CH:9]=[CH:10][CH:11]=[CH:12][C:13]=4[C:14]23[CH2:1][CH2:2]1)[C:30]1[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=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

10

反応物 5

HCID 313Hydrochloric AcidHCID 7498Benzyl BromideHCID 14923Ammonium HydroxideHCID 1365052-HydroxytetrahydropyranHCID 11021133Methyl 1,2,3,4,5,6-hexahydroazepino(4,5-b)indole-5-carboxylate

生成物 1

HCID 13856926methyl 3-benzyl-1,2,3,3a,4,5-hexahydro-4-(3-hydroxypropyl)-7H-pyrrolo(2,3-d)carbazole-6-carboxylate
収率 68.1%

試薬・触媒・溶媒 4

HCID 887Methanol溶媒2 回HCID 962Water溶媒HCID 8028Tetrahydrofuran溶媒HCID 21226129Dichloromethane methanol溶媒

反応条件

温度
20 °C

実験手順

To methyl 1,2,3,4,5,6-hexahydroazepino(4,5-b)indole-5-carboxylate (5.0 g, 20 mmol) stirring in methanol (25 mL) was added enough methanol saturated with HCl to turn moist universal pH paper red. The methanol was evaporated at reduced pressure and to the residue was added H2O (50 mL) and 2-hydroxytetrahydropyran (2.2 g, 22 mmol) and the mixture was allowed to stir at 20° C. overnight. TLC (SiO2, 7.5% methanol/CH2Cl2) of the mixture showed the formation of two products which were methyl 1,2,4,6-tetrahydro-11-β(4-hydroxybutyl)-3,10b-methanoazepino (4,5-b)indole-5-carboxylate and methyl 1,2,4,6-tetrahydro-11-α (4-hydroxybutyl)-3,10b-methanoazepino (4,5-b)indole-5-carboxylate (Rf 0.68 and 0.76, CAS, blue). The reaction mixture was basified (NH4OH), 10% (aq) and extracted three times with CH2Cl2. The organic extracts were dried (Na2SO4) and concentrated to a residue, which was immediately dissolved in THF (100 mL). To the THF solution was added benzyl bromide (2.5 mL, 21 mmol) and then the solution was heated to reflux and monitored by TLC until conversion to the mixture of 3-benzyl 1,2,4,6-tetrahydro-11-β(4-hydroxybutyl)-5-methoxycarbonyl-3,10b-methanoazepino (4,5-b)indolium bromide and 3-benzyl-1,2,4,6-tetrahydro-11-α(4'-hydroxybutyl)-5-methoxycarbonyl-3,10b-methanoazepino (4,5-b)indolium bromide (about 2 h) was completed. At this point the THF was evaporated and replaced with methanol (100 mL) and diisopropyl ethyl amine (5.3 mL). Reflux was restarted until TLC showed complete disappearance of the above mixture of compounds. The methanol was evaporated and the residue chromatographed (SiO2, 5% methanol/CH2Cl2) to yield 5.7 g (67%) of methyl 3-benzyl-1,2,3,3a,4,5-hexahydro-4(3-hydroxy-propyl)-7H-pyrrolo(2,3-d)carbazole-6-carboxylate as a gum;TLC (SiO2, 7.5% methanol/CH2Cl2) Rf 0.86 CAS, blue).

後処理

  1. customThe methanol was evaporated at reduced pressure and to the residue
  2. extractionextracted three times with CH2Cl2
  3. dry with materialThe organic extracts were dried (Na2SO4)
  4. concentrationconcentrated to a residue, which
  5. dissolutionwas immediately dissolved in THF (100 mL)
  6. temperaturethe solution was heated
  7. temperatureto reflux
  8. customAt this point the THF was evaporated
  9. temperatureReflux
  10. additiondisappearance of the above mixture of compounds
  11. customThe methanol was evaporated
  12. customthe residue chromatographed (SiO2, 5% methanol/CH2Cl2)

出典と根拠

ORDレコード
ord-6fdd10d8b7a04944bb3246384a912a0c
出典データセット
uspto-grants-1989_06
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US04841045

反応ノート

読み込み中…

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