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Pyridine → 4-tert-butyl-N-[4-chloro-5-fluoro-2-(4-methyl-5-oxazol-4-yl-4H-[1,2,4]triazol-3-yl)-phenyl]-benzenesulfonamide

HRID 448104
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HRID 448104 반응식
[CH3:1][NH:2][C:3]([C:5]1[N:6]=[CH:7][O:8][CH:9]=1)=O.O=P(Cl)(Cl)Cl.N1C=CC=CC=1.[C:21]([C:25]1[CH:30]=[CH:29][C:28]([S:31]([NH:34][C:35]2[CH:40]=[C:39]([F:41])[C:38]([Cl:42])=[CH:37][C:36]=2[C:43]([NH:45][NH2:46])=O)(=[O:33])=[O:32])=[CH:27][CH:26]=1)([CH3:24])([CH3:23])[CH3:22].C(NC(C)C)(C)C>O1CCOCC1.CC#N>[C:21]([C:25]1[CH:30]=[CH:29][C:28]([S:31]([NH:34][C:35]2[CH:40]=[C:39]([F:41])[C:38]([Cl:42])=[CH:37][C:36]=2[C:43]2[N:2]([CH3:1])[C:3]([C:5]3[N:6]=[CH:7][O:8][CH:9]=3)=[N:46][N:45]=2)(=[O:33])=[O:32])=[CH:27][CH:26]=1)([CH3:23])([CH3:24])[CH3:22]
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참가 물질

8

반응물 5

HCID 1049PyridineHCID 7912DiisopropylamineHCID 24813Phosphorus oxychlorideHCID 17866874N-Methyl-4-oxazolecarboxamideHCID 593029664-tert-butyl-N-(4-chloro-5-fluoro-2-hydrazinocarbonyl-phenyl)-benzenesulfonamide

생성물 1

HCID 24992252
4-tert-butyl-N-[4-chloro-5-fluoro-2-(4-methyl-5-oxazol-4-yl-4H-[1,2,4]triazol-3-yl)-phenyl]-benzenesulfonamide

시약·촉매·용매 2

HCID 6342Acetonitrile용매HCID 312751,4-Dioxane용매

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온도
40 °C

실험 절차

A 25 mL scintillation vial was charged with oxazole-4-carboxylic acid methylamide (132 mg, 1.0 mmol), POCl3 (0.27 mL, 3 mmol), pyridine (0.48 mL, 6 mmol) and CH3CN (10 mL). The vial was sealed, heated to 40° C., and stirred for four hours. The volatiles were then evacuated in vacuo and to the residue was added 4-tert-butyl-N-(4-chloro-5-fluoro-2-hydrazinocarbonyl-phenyl)-benzenesulfonamide (400 mg, 1.0 mmol), diisopropylamine (2.0 mL), and dioxane (2.0 mL). The vial was sealed, heated to 130° C., and stirred for two hours. The volatiles were then removed in vacuo, and the residue was purified via automated silica gel chromatography and then HPLC to afford 4-tert-butyl-N-[4-chloro-5-fluoro-2-(4-methyl-5-oxazol-4-yl-4H-[1,2,4]triazol-3-yl)-phenyl]-benzenesulfonamide as a white powder: 1H NMR (400 MHz, CDCl3) δ 9.72 (s, 1H), 8.48 (d, 1H), 8.04 (d, 1H), 7.67 (d, 1H), 7.50 (d, 2H), 7.33 (d, 1H), 7.3 (d, 2H), 3.59 (s, 3H), 1.23 (s, 9H), MS (ES) M+H expected 490.1, found 490.0.

후처리

  1. customThe vial was sealed
  2. customThe volatiles were then evacuated in vacuo and to the residue
  3. customThe vial was sealed
  4. temperatureheated to 130° C.
  5. stirringstirred for two hours
  6. customThe volatiles were then removed in vacuo
  7. customthe residue was purified

출처 및 근거

ORD 기록
ord-671d02a56b304b6b8bdba20df0db71f0
출처 데이터셋
uspto-grants-2013_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08481579B2

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