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Triethylamine → 1-{5-[4-(Thiazolo[4,5-b]pyridin-2-yloxy)-benzyl]-2,5-diaza-bicyclo[2.2.1]hept-2-yl}-ethanone

HRID 1807466
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HRID 1807466 반응식
Cl.[C@H:2]12[CH2:8][C@H:5]([NH:6][CH2:7]1)[CH2:4][N:3]2[C:9](=[O:11])[CH3:10].CCN(CC)CC.[S:19]1[C:27]2[C:22](=[N:23][CH:24]=[CH:25][CH:26]=2)[N:21]=[C:20]1[O:28][C:29]1[CH:36]=[CH:35][C:32]([CH:33]=O)=[CH:31][CH:30]=1>ClCCCl.CCOC(C)=O>[S:19]1[C:27]2[C:22](=[N:23][CH:24]=[CH:25][CH:26]=2)[N:21]=[C:20]1[O:28][C:29]1[CH:36]=[CH:35][C:32]([CH2:33][N:6]2[CH2:7][CH:2]3[CH2:8][CH:5]2[CH2:4][N:3]3[C:9](=[O:11])[CH3:10])=[CH:31][CH:30]=1
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참가 물질

6

반응물 3

HCID 8471TriethylamineHCID 574483844-([1,3]Thiazolo[4,5-b]pyridin-2-yloxy)benzaldehydeHCID 574640501-((1S,4S)-2,5-diazabicyclo(2.2.1)heptan-2-yl)ethan-1-one hydrochloride

생성물 1

HCID 575148461-{5-[4-(Thiazolo[4,5-b]pyridin-2-yloxy)-benzyl]-2,5-diaza-bicyclo[2.2.1]hept-2-yl}-ethanone수율 88.1%

시약·촉매·용매 2

HCID 11
1,2-Dichloroethane
용매
3회
HCID 8857Ethyl Acetate용매

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온도
50 °C

실험 절차

To a 1-L round-bottom, 3-necked flask equipped with magnetic stirring, dynamic nitrogen inlet, and thermocouple probe were added 1-[(1S,4S)-2,5-diazabicyclo[2.2.1]hept-2-yl]ethanone hydrochloride (53.3 g, 0.302 mol), DCE (250 mL), and Et3N (100 mL, 1.006 mol). The flask was warmed to 50° C. and aged for 20 min. An additional 100 mL of DCE was added to facilitate stirring. The solution was cooled to 40° C. and the solution was then added via cannula to a 2-L round-bottom, 3-necked flask equipped with overhead mechanical stirring, dynamic nitrogen inlet, and thermocouple probe containing 4-(thiazolo[4,5-b]pyridin-2-yloxy)-benzaldehyde (51.6 grams, 0.201 mol) dissolved in DCE (100 mL). The 1-L round-bottom flask was rinsed with DCE (100 mL). The rinse solvent was added to the reaction mixture. The resultant deep purple solution was aged at rt for 2.5 h. After such time, the sodium triacetoxyborohydride (72.5 g, 0.342) was added in 4 equal portions over a four-hour period. Once addition was complete, the resultant solution was aged at rt overnight. The reaction was quenched by the slow addition of water (1 L) over a 10-minute period. After 30 additional minutes of stirring, the solution was filtered to remove a fine rag layer of precipitate. The layers were separated and the aqueous layer was extracted with DCE (1×500 mL). The organic layers were combined, washed with brine, dried over MgSO4, filtered and concentrated to yield crude product as a thick brown oil. The crude product was suspended in EtOAc (500 mL), warmed to 70° C., and cooled slowly to rt. The resultant slurry was filtered and the filtrate was concentrated to yield 1-{5-[4-(thiazolo[4,5-b]pyridin-2-yloxy)-benzyl]-2,5-diaza-bicyclo[2.2.1]hept-2-yl}-ethanone (67.2 g, 0.177 mol) as a brown glass. MS (ESI): mass calcd. for C20H20N4O2S, 380.13; m/z found, 381.1 [M+H]+.

후처리

  1. customTo a 1-L round-bottom, 3-necked flask equipped with magnetic stirring, dynamic nitrogen inlet
  2. temperatureThe solution was cooled to 40° C.
  3. additionthe solution was then added via cannula to a 2-L round-bottom, 3-necked flask
  4. customequipped with overhead mechanical stirring, dynamic nitrogen inlet
  5. washThe 1-L round-bottom flask was rinsed with DCE (100 mL)
  6. additionThe rinse solvent was added to the reaction mixture
  7. additionAfter such time, the sodium triacetoxyborohydride (72.5 g, 0.342) was added in 4 equal portions over a four-hour period
  8. additionOnce addition
  9. waitthe resultant solution was aged at rt overnight
  10. customThe reaction was quenched by the slow addition of water (1 L) over a 10-minute period
  11. stirringAfter 30 additional minutes of stirring
  12. filtrationthe solution was filtered
  13. customto remove a fine rag layer of precipitate
  14. customThe layers were separated
  15. extractionthe aqueous layer was extracted with DCE (1×500 mL)
  16. washwashed with brine
  17. dry with materialdried over MgSO4
  18. filtrationfiltered
  19. concentrationconcentrated
  20. customto yield crude product as a thick brown oil
  21. temperaturewarmed to 70° C.
  22. temperaturecooled slowly to rt
  23. filtrationThe resultant slurry was filtered
  24. concentrationthe filtrate was concentrated

출처 및 근거

ORD 기록
ord-78c19c9e88974cd18ace7c2df3c01dbe
출처 데이터셋
uspto-grants-2013_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08357684B2

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