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2-Bromoaniline → ethyl 7-bromo-3-(3-ethoxy-3-oxopropyl)-1H-indole-2-carboxylate

HRID 576239
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HRID 576239 반응식
[Br:1][C:2]1[CH:8]=[CH:7][CH:6]=[CH:5][C:3]=1[NH2:4].N([O-])=[O:10].[Na+].[C:13]([O-])(=O)[CH3:14].[Na+].[CH2:18]([O:20][C:21]([CH:23]1[CH2:27][CH2:26][CH2:25][C:24]1=[O:28])=[O:22])[CH3:19]>Cl.O>[Br:1][C:2]1[CH:8]=[CH:7][CH:6]=[C:5]2[C:3]=1[NH:4][C:25]([C:24]([O:28][CH2:13][CH3:14])=[O:10])=[C:26]2[CH2:27][CH2:23][C:21]([O:20][CH2:18][CH3:19])=[O:22]
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참가 물질

7

반응물 4

HCID 119922-BromoanilineHCID 69136Ethyl 2-oxocyclopentanecarboxylateHCID 517045Sodium AcetateHCID 23668193Sodium Nitrite

생성물 1

HCID 68940416ethyl 7-bromo-3-(3-ethoxy-3-oxopropyl)-1H-indole-2-carboxylate

시약·촉매·용매 2

HCID 313Hydrochloric Acid용매
HCID 962
Water
용매
3회

반응 조건

온도
19 °C

실험 절차

A mixture of 2-bromoaniline (34.2 g) in 5M HCl (50 mL) and water (250 mL) at 0° C. was treated with NaNO2 (13.8 g) in water (200 mL). After addition, sodium acetate (92.3 g) in water (250 mL) and 2-oxo-cyclopentanecarboxylic acid ethyl ester (30 mL) were added. The mixture was stirred for 15 minutes, warmed to 19° C. over two hours and extracted with dichloromethane. The extract was dried (MgSO4), filtered and concentrated. The concentrate was dissolved in 1.1:1 H2SO4:ethanol (30 mL), refluxed overnight, cooled to room temperature, quenched with water (1.5 L), and filtered. The filtrant was dissolved in dichloromethane (200 mL) and filtered through a Flash 75 cartridge with dichloromethane. After concentration, the product was recrystallized from hexane.

후처리

  1. additionwere added
  2. extractionextracted with dichloromethane
  3. dry with materialThe extract was dried (MgSO4)
  4. filtrationfiltered
  5. concentrationconcentrated
  6. dissolutionThe concentrate was dissolved in 1.1:1 H2SO4
  7. temperatureethanol (30 mL), refluxed overnight
  8. temperaturecooled to room temperature
  9. customquenched with water (1.5 L)
  10. filtrationfiltered
  11. dissolutionThe filtrant was dissolved in dichloromethane (200 mL)
  12. filtrationfiltered through a Flash 75 cartridge with dichloromethane
  13. concentrationAfter concentration
  14. customthe product was recrystallized from hexane

출처 및 근거

ORD 기록
ord-7892fadc0e244a84b8a6dfa413337b8e
출처 데이터셋
uspto-grants-2015_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09035047B2

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