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Iodine → tert-butyl 3-(3-oxohept-6-enyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate

HRID 579534
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HRID 579534 반응식
[Mg].II.Br[CH2:5][CH2:6][CH:7]=[CH2:8].CON(C)[C:12](=[O:32])[CH2:13][CH2:14][CH:15]1[CH2:24][C:23]2[C:18](=[CH:19][CH:20]=[CH:21][CH:22]=2)[CH2:17][N:16]1[C:25]([O:27][C:28]([CH3:31])([CH3:30])[CH3:29])=[O:26].[Cl-].[NH4+]>C1COCC1>[O:32]=[C:12]([CH2:8][CH2:7][CH:6]=[CH2:5])[CH2:13][CH2:14][CH:15]1[CH2:24][C:23]2[C:18](=[CH:19][CH:20]=[CH:21][CH:22]=2)[CH2:17][N:16]1[C:25]([O:27][C:28]([CH3:30])([CH3:31])[CH3:29])=[O:26]
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참가 물질

7

반응물 5

HCID 807IodineHCID 21241Homoallyl bromideHCID 25517Ammonium ChlorideHCID 5462224Magnesium2회HCID 86663726tert-butyl 3-(3-(methoxy(methyl)amino)-3-oxopropyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate

생성물 1

HCID 66833329tert-butyl 3-(3-oxohept-6-enyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
수율 95%

시약·촉매·용매 1

HCID 8028Tetrahydrofuran용매3회

실험 절차

While under an atmosphere of argon, a flame-dried round-bottomed flask was charged with magnesium (1.5 g, 62.9 mmol) a small crystal of I2 and just enough dry THF to cover the magnesium. The mixture was heated to reflux until the color dissipated (about 10 min). Approximately 10% of a solution of 4-bromo-1-butene (61.7 mmol) in THF (100 mL) was added all at once. The remainder of the solution was added dropwise while maintaining a gentle reflux. After the addition was complete, heating was continued for 5 min (until almost all of the Mg had reacted). The newly formed Grignard reagent was then added to an ice cooled solution of tert-butyl 3-(3-(methoxy(methyl)amino)-3-oxopropyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate (8.6 g, 24.7 mmol) in dry THF (100 mL). After stirring overnight at room temperature, the solution was poured into saturated aqueous ammonium chloride and extracted with ether (3×). The combined organic extracts were dried over MgSO4, filtered and concentrated under reduced pressure to give tert-butyl 3-(3-oxohept-6-enyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate (8.0 g, 95%). ESI MS found for C21H29NO3 m/z [366.5 (M+23)]. The crude product was used without further purification.

후처리

  1. temperatureThe mixture was heated
  2. temperatureto reflux until the color
  3. custom(about 10 min)
  4. additionThe remainder of the solution was added dropwise
  5. temperaturewhile maintaining a gentle reflux
  6. additionAfter the addition
  7. temperatureheating
  8. extractionextracted with ether (3×)
  9. dry with materialThe combined organic extracts were dried over MgSO4
  10. filtrationfiltered
  11. concentrationconcentrated under reduced pressure

출처 및 근거

ORD 기록
ord-685fa23e9cba481ea347f4f36e2fb27c
출처 데이터셋
uspto-grants-2015_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09040703B2

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