홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /반응

tert-Butyl methyl ether → ethyl (5R)-7-[4-(1-cyano-1-methylethyl)-3-fluorophenyl]-5-cyclopentyl-5-hydroxy-3-oxoheptanoate

HRID 859783
노트
인쇄 미리보기

반응식

HRID 859783 반응식
C1N=CN(C(N2C=N[CH:10]=[CH:9]2)=O)C=1.CC(OC)(C)C.[C:19]([C:21]([C:24]1[CH:29]=[CH:28][C:27]([CH2:30][CH2:31][C@@:32]([CH:38]2[CH2:42][CH2:41][CH2:40][CH2:39]2)([OH:37])[CH2:33]C(O)=O)=[CH:26][C:25]=1[F:43])([CH3:23])[CH3:22])#[N:20].[C:44]([O-])(=[O:49])[CH2:45][C:46]([O-:48])=[O:47].C([Mg+2])C>CN(C1C=CN=CC=1)C.C1COCC1>[C:19]([C:21]([C:24]1[CH:29]=[CH:28][C:27]([CH2:30][CH2:31][C@@:32]([CH:38]2[CH2:42][CH2:41][CH2:40][CH2:39]2)([OH:37])[CH2:33][C:44](=[O:49])[CH2:45][C:46]([O:48][CH2:9][CH3:10])=[O:47])=[CH:26][C:25]=1[F:43])([CH3:23])[CH3:22])#[N:20]
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 4

HCID 15413tert-Butyl methyl ether2회HCID 682631,1'-CarbonyldiimidazoleHCID 69061320(3R)-5-[4-(1-cyano-1-methylethyl)-3-fluorophenyl]-3-cyclopentyl-3-hydroxypentanoic acidHCID 178525631HCID 178525631, 화합물

생성물 1

HCID 68251365ethyl (5R)-7-[4-(1-cyano-1-methylethyl)-3-fluorophenyl]-5-cyclopentyl-5-hydroxy-3-oxoheptanoate

시약·촉매·용매

2
HCID 142844-(Dimethylamino)pyridine촉매HCID 8028Tetrahydrofuran용매2회

반응 조건

온도
40 °C

실험 절차

A 1-L, 3-neck flask was charged with CDI (29.00 g, 0.179 moles), DMAP (733 mg, 0.006 moles), and MTBE (70 mL) (notes 1, 2). An MTBE solution of (3R)-5-[4-(1-cyano-1-methylethyl)-3-fluorophenyl]-3-cyclopentyl-3-hydroxypentanoic acid (41.28 g, 0.119 moles, 170 mL) was added to the stirred mixture over a 30 minute period. The addition funnel was rinsed with THF (5 mL) and the rinse was added to the reaction mixture. The mixture was stirred for 30 min and an aliquot was removed and analyzed by HPLC. Once acyl-imidazole formation was complete, the solution was added to a 500 mL addition funnel. A separate 1-L, 3-neck flask was charged with ethyl magnesium malonate (51.30 g, 0.179 moles) and THF (100 mL) (the solids did not dissolve in THF, even after warming to 40° C.). The stirred mixture was heated to 40° C. and the acyl-imidazole solution was slowly added to the mixture. Stirring was continued at 40° C., and aliquots were periodically removed and analyzed by HPLC for completion. After the reaction was complete, heating was discontinued and the solution allowed to cool to rt. The solution was diluted with IPE (200 mL) and 1 N HCl (360 mL), the mixture was stirred for 15 minutes, and the phases were separated. The organic phase was extracted with H2O (10 mL), the phases separated, and the organic layer was added to a 1-L, 3-neck flask. The solution was distilled to a minimum of ˜3.3 volumes to remove H2O (the distillate temperature was 48° C. during azeotrope distillation and the distillation was ended after the distillate temperature was steady at ˜50° C.). The solution was used directly in the next step.

후처리

  1. washThe addition funnel was rinsed with THF (5 mL)
  2. additionthe rinse was added to the reaction mixture
  3. customan aliquot was removed
  4. additionthe solution was added to a 500 mL addition funnel
  5. temperatureThe stirred mixture was heated to 40° C.
  6. stirringStirring
  7. customwas continued at 40° C.
  8. customaliquots were periodically removed
  9. temperatureheating
  10. temperatureto cool to rt
  11. additionThe solution was diluted with IPE (200 mL) and 1 N HCl (360 mL)
  12. stirringthe mixture was stirred for 15 minutes
  13. customthe phases were separated
  14. extractionThe organic phase was extracted with H2O (10 mL)
  15. customthe phases separated
  16. additionthe organic layer was added to a 1-L, 3-neck flask
  17. distillationThe solution was distilled to a minimum of ˜3.3 volumes
  18. customto remove H2O (the distillate temperature
  19. distillationwas 48° C. during azeotrope distillation
  20. distillationthe distillation
  21. customwas steady at ˜50° C.

출처 및 근거

ORD 기록
ord-5c25546e65e648539ed84fc2bd3406be
출처 데이터셋
uspto-grants-2006_12
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07151105B2

반응 노트

불러오는 중…

이 페이지에서참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트