Trifluoroacetic acid → 1-{2-[6-(1,4-Oxazepan-4-yl)pyrimidin-4-yl]-3-oxo-2,3-dihydro-1H-pyrazol-4-yl}-1H-1,2,3-triazole-4-carbonitrile

HRID 562482노트

반응식

HRID 562482 반응식
CN(C)[CH:3]=[C:4]([N:10]1[CH:14]=[C:13]([C:15]#[N:16])[N:12]=[N:11]1)[C:5](OCC)=[O:6].[NH:18]([C:20]1[N:25]=[CH:24][N:23]=[C:22]([N:26]2[CH2:32][CH2:31][CH2:30][O:29][CH2:28][CH2:27]2)[CH:21]=1)[NH2:19].FC(F)(F)C(O)=O>O>[O:29]1[CH2:30][CH2:31][CH2:32][N:26]([C:22]2[N:23]=[CH:24][N:25]=[C:20]([N:18]3[C:5](=[O:6])[C:4]([N:10]4[CH:14]=[C:13]([C:15]#[N:16])[N:12]=[N:11]4)=[CH:3][NH:19]3)[CH:21]=2)[CH2:27][CH2:28]1

참가 물질

5

반응물 3

HCID 6422Trifluoroacetic acidHCID 579250704-(6-Hydrazinylpyrimidin-4-yl)-1,4-oxazepaneHCID 66725972Ethyl 2-(4-cyanotriazol-1-yl)-3-(dimethylamino)prop-2-enoate

생성물 1

HCID 579250661-{2-[6-(1,4-Oxazepan-4-yl)pyrimidin-4-yl]-3-oxo-2,3-dihydro-1H-pyrazol-4-yl}-1H-1,2,3-triazole-4-carbonitrile

시약·촉매·용매 1

HCID 962Water용매

반응 조건

온도
100 °C

실험 절차

A mixture of 200 mg (0.9 mmol) of the compound from Example 7A, 178 mg (0.9 mmol) of the compound from Example 14A and 33 μl (49 mg, 0.4 mmol) of trifluoroacetic acid in 3 ml of water is stirred at 100° C. for 16 h. The precipitated solid is filtered off and washed first with water and then with diethyl ether. The product is dried under reduced pressure. Yield: 80 mg (27% of theory)

후처리

  1. filtrationThe precipitated solid is filtered off
  2. washwashed first with water
  3. customThe product is dried under reduced pressure

출처 및 근거

ORD 기록
ord-2a3973d372c7454f9b093f9953550e16
출처 데이터셋
uspto-grants-2011_11
특허 번호
US08067407B2

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