HCID 57435373, 화합물 → HCID 57513765, 화합물

HRID 2368432노트

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HRID 2368432 반응식
[CH2:1]([N:8]1[C:12]([C:13]2[CH:18]=[CH:17][C:16]([F:19])=[CH:15][CH:14]=2)=[N:11][C:10]([NH2:20])=[N:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH2:21]([O:28][C:29]1[O:30][C:31](=[O:36])[C:32]([CH3:35])([CH3:34])[N:33]=1)[C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1>C1(C)C=CC=CC=1>[CH2:21]([O:28][C:29](=[O:30])[NH:33][C:32]([C:31](=[O:36])[NH:20][C:10]1[N:11]=[C:12]([C:13]2[CH:18]=[CH:17][C:16]([F:19])=[CH:15][CH:14]=2)[N:8]([CH2:1][C:2]2[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=2)[N:9]=1)([CH3:34])[CH3:35])[C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1

참가 물질

4

반응물 2

HCID 57435373HCID 57435373, 화합물HCID 57435374HCID 57435374, 화합물

생성물 1

HCID 57513765HCID 57513765, 화합물

시약·촉매·용매 1

HCID 1140Toluene용매

반응 조건

온도
50 °C

실험 절차

1-Benzyl-5-(4-fluorophenyl)-1H-1,2,4-triazol-3-amine (4.15 g, 15.47 mmol), 2-(benzyloxy)-4,4-dimethyloxazol-5(4H)-one (4.07 g, 18.56 mmol) were stirred in 5 ml of toluene in a 100 ml prbf. The white suspension was allowed to stir at 50° C. for over weekend. It was then cooled to r.t. The volatiles were removed in vacuo and the resulted solid was dissolved in EtOAc (130 mL) and heptane (50 mL) with heating. It was cooled to r.t. and let sit overnight. The resulted precipitates were collected and dried to afford the title compound. 1H NMR (400 MHz, DMSO-d6) 1.41 (s, 6H) 5.01 (s, 2H) 5.43 (s, 2H) 7.12 (d, J=6.82 Hz, 2H) 7.23-7.43 (m, 11H) 7.64-7.74 (m, 2H), 10.05 (br. s., 1H). MS (m/z) 488.1 M(+1), tR=1.60, Method A.

후처리

  1. temperatureIt was then cooled to r.t
  2. customThe volatiles were removed in vacuo
  3. dissolutionthe resulted solid was dissolved in EtOAc (130 mL)
  4. temperatureheptane (50 mL) with heating
  5. temperatureIt was cooled to r.t.
  6. customThe resulted precipitates
  7. customwere collected
  8. customdried

출처 및 근거

ORD 기록
ord-a2d049a160b546a8a45e00ceb765feab
출처 데이터셋
uspto-grants-2014_04
특허 번호
US08703761B2

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