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Nitrogen → HCID 86687279, 화합물

HRID 1402429
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HRID 1402429 반응식
C([O:8][CH2:9][C@H:10]([CH3:28])[O:11][C:12]1[CH:13]=[C:14]([N:18]2[C:22]([NH2:23])=[CH:21][C:20]([C:24]([CH3:27])([CH3:26])[CH3:25])=[N:19]2)[CH:15]=[CH:16][CH:17]=1)C1C=CC=CC=1.N#N.C([O-])=O.[NH4+]>C(O)C.[Pd]>[NH2:23][C:22]1[N:18]([C:14]2[CH:13]=[C:12]([CH:17]=[CH:16][CH:15]=2)[O:11][C@@H:10]([CH3:28])[CH2:9][OH:8])[N:19]=[C:20]([C:24]([CH3:25])([CH3:27])[CH3:26])[CH:21]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 3

HCID 947NitrogenHCID 2723923Ammonium formate2회HCID 866872782-[3-((S)-2-Benzyloxy-1-methyl-ethoxy)-phenyl]-5-tert-butyl-2H-pyrazol-3-ylamine

생성물 1

HCID 86687279HCID 86687279, 화합물수율 86.4%

시약·촉매·용매 2

HCID 23938Palladium촉매3회
HCID 702
Ethanol
용매

실험 절차

A solution of Intermediate 152a (0.39 g, 1.0 mmol) in ethanol (IMS grade, 10 mL) was purged with N2 then 10% Pd/C (0.11 g, 0.1 mmol Pd) was added. The mixture was purged with H2 then stirred under an atmosphere of H2 (balloon) at ambient temperature for 2 h, then at 50° C. for 1.5 h and 45° C. for 30 mins. Another portion of Pd/C (0.11 g, 0.1 mmol Pd) was added and the mixture was stirred at 45° C. for 16 h. The cooled reaction mixture was purged with N2 and treated with water (2 mL) then ammonium formate (0.65 g, 10.3 mmol) and heated to reflux for 5. Another portion of ammonium formate (0.65 g, 10.3 mmol) and Pd/C (0.11 g, 0.1 mmol) were added and the mixture was stirred at reflux for 16 h. The mixture was filtered through celite and the filtrate was concentrated in vacuo. The residue was partitioned between EtOAc and water. The phases were separated and the aqueous layer was extracted with EtOAc (×2). The combined organic phase was washed with saturated aqueous sodium bicarbonate solution and brine, dried (Na2SO4) and concentrated in vacuo. The residue was purified by FCC, using 0-75% EtOAc in cyclohexane to give the title compound (0.25 g, 83%) as a pink gum. LCMS (Method 3): Rt 2.44 min, m/z 290.3 [MH+].

후처리

  1. customThe mixture was purged with H2
  2. waitat 50° C. for 1.5 h
  3. wait45° C. for 30 mins
  4. stirringthe mixture was stirred at 45° C. for 16 h
  5. customThe cooled reaction mixture
  6. customwas purged with N2
  7. additiontreated with water (2 mL)
  8. temperatureto reflux for 5
  9. stirringthe mixture was stirred
  10. temperatureat reflux for 16 h
  11. filtrationThe mixture was filtered through celite
  12. concentrationthe filtrate was concentrated in vacuo
  13. customThe residue was partitioned between EtOAc and water
  14. customThe phases were separated
  15. extractionthe aqueous layer was extracted with EtOAc (×2)
  16. washThe combined organic phase was washed with saturated aqueous sodium bicarbonate solution and brine
  17. dry with materialdried (Na2SO4)
  18. concentrationconcentrated in vacuo
  19. customThe residue was purified by FCC

출처 및 근거

ORD 기록
ord-40a3b9195dce42abaf5662fe5ff3ee4a
출처 데이터셋
uspto-grants-2014_12
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08907094B2

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