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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
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HRID 1905061 반응식
[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
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참가 물질

10

반응물 5

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

생성물 1

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

시약·촉매·용매 4

HCID 887Methanol용매2회HCID 962Water용매HCID 8028Tetrahydrofuran용매HCID 21226129Dichloromethane methanol용매

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온도
20 °C

실험 절차

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).

후처리

  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)

출처 및 근거

ORD 기록
ord-6fdd10d8b7a04944bb3246384a912a0c
출처 데이터셋
uspto-grants-1989_06
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US04841045

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