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Pyridine → HCID 57800487, 화합물

HRID 913393
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HRID 913393 반응식
[Cl:1][C:2]1[C:10]([C:11]#[N:12])=[CH:9][CH:8]=[C:7]2[C:3]=1[CH:4]=[C:5]([C:18]([NH2:20])=O)[N:6]2[CH2:13][C:14]([F:17])([F:16])[F:15].N1C=CC=CC=1.C(OC(C(F)(F)F)=O)(C(F)(F)F)=O>C(Cl)Cl>[Cl:1][C:2]1[C:10]([C:11]#[N:12])=[CH:9][CH:8]=[C:7]2[C:3]=1[CH:4]=[C:5]([C:18]#[N:20])[N:6]2[CH2:13][C:14]([F:16])([F:17])[F:15]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 1049PyridineHCID 9845Trifluoroacetic anhydrideHCID 24985459HCID 24985459, 화합물

생성물 1

HCID 57800487HCID 57800487, 화합물수율 72%

시약·촉매·용매 1

HCID 6344Dichloromethane용매

실험 절차

To a suspension of 4-chloro-5-cyano-1-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide (0.05 g, 0.17 mmol) in CH2Cl2 (6 mL) was added pyridine (0.104 g, 1.32 mmol), followed by dropwise addition of TFAA (0.14 g, 0.66 mmol). The mixture was stirred at rt for 4 h and then concentrated in vacuo. The residue was partitioned between EtOAc and 0.5N HCl. The organic phase was washed with 0.5N HCl and sat'd brine, dried (Na2SO4) and concentrated in vacuo. The residue was purified by flash chromatography (0-50% EtOAc-hexanes gradient) and the product was crystallized from CH2Cl2-hexanes to afford the title compound as a white solid (0.033 g, 72% yield): MS (ES) m/z 284 (M+1).

후처리

  1. concentrationconcentrated in vacuo
  2. customThe residue was partitioned between EtOAc and 0.5N HCl
  3. washThe organic phase was washed with 0.5N HCl
  4. dry with materialdried (Na2SO4)
  5. concentrationconcentrated in vacuo
  6. customThe residue was purified by flash chromatography (0-50% EtOAc-hexanes gradient)
  7. customthe product was crystallized from CH2Cl2-hexanes

출처 및 근거

ORD 기록
ord-a7218e52650f42f2a166c7281863379e
출처 데이터셋
uspto-grants-2011_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08026262B2

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