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4-Methylmorpholine → HCID 178500488, 화합물

HRID 1424199
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HRID 1424199 반응식
[C:1]([O:5][C:6]([NH:8][C@@H:9]([CH:13]([CH3:18])[C:14]([O:16][CH3:17])=[O:15])[C:10](O)=O)=[O:7])([CH3:4])([CH3:3])[CH3:2].CN1CCOCC1.C(OC(Cl)=O)C(C)C.[C:34]([C:38]1[CH:43]=[CH:42][C:41]([NH2:44])=[C:40]([NH2:45])[CH:39]=1)([CH3:37])([CH3:36])[CH3:35]>C1COCC1>[C:1]([O:5][C:6]([NH:8][C@H:9]([C:10]1[NH:44][C:41]2[CH:42]=[CH:43][C:38]([C:34]([CH3:37])([CH3:36])[CH3:35])=[CH:39][C:40]=2[N:45]=1)[CH:13]([CH3:18])[C:14]([O:16][CH3:17])=[O:15])=[O:7])([CH3:4])([CH3:3])[CH3:2]
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 79724-MethylmorpholineHCID 62365Isobutyl chloroformateHCID 4327084-Tert-butylbenzene-1,2-diamineHCID 86699111HCID 86699111, 화합물

생성물 1

HCID 178500488HCID 178500488, 화합물수율 58%

시약·촉매·용매 1

HCID 8028Tetrahydrofuran
용매
3회

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온도
-78 °C

실험 절차

A solution of (2S)-2-[(tert-butoxycarbonyl)amino]-4-methoxy-3-methyl-4-oxobutanoic acid (Preparation 62, 8.45 g, 32.3 mmol) in THF (300 mL) was cooled to −78° C. and NMM (5.3 mL, 48.5 mmol) was added followed by a solution of isobutylchloroformate (4.44 mL, 34 mmol) in THF (20 mL) dropwise over 30 minutes. The resulting solution was added to a solution of 4-tert-butyl-1,2-diaminobenzene (5.95 g, 36.22 mmol) in THF (100 mL) via cannula at −78° C. The reaction was stirred at −78° C. for 1 hour, then allowed to warm to room temperature for 3 hours. The reaction was concentrated in vacuo and diluted with EtOAc (300 mL). The solution was washed with saturated aqueous NaHCO3 solution (2×100 mL), brine (3×100 mL), dried over Na2SO4 and concentrated in vacuo. The residue was dissolved in AcOH (150 mL) and stirred at room temperature for 4 days. The reaction was evaporated to dryness azeotroping with dioxane. The residue was purified using reverse phase column chromatography eluting with 5-40% MeCN in 0.1% formic acid in water. The acetonitrile was evaporated and the remaining aqueous solution was basified with saturated aqueous NaHCO3 solution. The product was extracted with EtOAc, dried over Na2SO4 and concentrated in vacuo. The crude residue was purified using silica gel column chromatography eluting with DCM/TBME 9/1 to afford the title compound as a yellow solid (7.25 g, 58%).

후처리

  1. temperatureto warm to room temperature for 3 hours
  2. concentrationThe reaction was concentrated in vacuo
  3. additiondiluted with EtOAc (300 mL)
  4. washThe solution was washed with saturated aqueous NaHCO3 solution (2×100 mL), brine (3×100 mL)
  5. dry with materialdried over Na2SO4
  6. concentrationconcentrated in vacuo
  7. dissolutionThe residue was dissolved in AcOH (150 mL)
  8. stirringstirred at room temperature for 4 days
  9. customThe reaction was evaporated to dryness
  10. customazeotroping with dioxane
  11. customThe residue was purified
  12. washeluting with 5-40% MeCN in 0.1% formic acid in water
  13. customThe acetonitrile was evaporated
  14. extractionThe product was extracted with EtOAc
  15. dry with materialdried over Na2SO4
  16. concentrationconcentrated in vacuo
  17. customThe crude residue was purified
  18. washeluting with DCM/TBME 9/1

출처 및 근거

ORD 기록
ord-88734c1c44454e9bb45cce1318adc3ac
출처 데이터셋
uspto-grants-2015_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08927587B2

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