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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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3-[3-(Trifluoromethyl)phenyl]propaneimidamide hydrochloride → 5-(4-Chlorophenyl)-4-cyclopropyl-2-[(5-{2-[3-(trifluoromethyl)phenyl]ethyl}-4H-1,2,4-triazol-3-yl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one

HRID 714685
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인쇄 미리보기

반응식

HRID 714685 반응식
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[N:12]([CH:13]3[CH2:15][CH2:14]3)[C:11](=[O:16])[N:10]([CH2:17][C:18]([NH:20][NH2:21])=O)[N:9]=2)=[CH:4][CH:3]=1.Cl.[F:23][C:24]([F:37])([F:36])[C:25]1[CH:26]=[C:27]([CH2:31][CH2:32][C:33](=N)[NH2:34])[CH:28]=[CH:29][CH:30]=1>CN(C=O)C.CO>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[N:12]([CH:13]3[CH2:15][CH2:14]3)[C:11](=[O:16])[N:10]([CH2:17][C:18]3[NH:34][C:33]([CH2:32][CH2:31][C:27]4[CH:28]=[CH:29][CH:30]=[C:25]([C:24]([F:23])([F:37])[F:36])[CH:26]=4)=[N:21][N:20]=3)[N:9]=2)=[CH:4][CH:3]=1
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참가 물질

5

반응물 2

HCID 673958533-[3-(Trifluoromethyl)phenyl]propaneimidamide hydrochlorideHCID 674061412-[3-(4-Chlorophenyl)-4-cyclopropyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetohydrazide

생성물 1

HCID 1785175795-(4-Chlorophenyl)-4-cyclopropyl-2-[(5-{2-[3-(trifluoromethyl)phenyl]ethyl}-4H-1,2,4-triazol-3-yl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one

시약·촉매·용매 2

HCID 887Methanol용매
HCID 6228
Dimethylformamide
용매

반응 조건

온도
180 °C

실험 절차

50 mg (0.16 mmol) of the compound from Example 21A were taken up in 1 ml of DMF, 62 mg (0.24 mmol) of 3-[3-(trifluoromethyl)phenyl]propaneimidamide hydrochloride were added and the mixture was stirred in a microwave oven at 180° C. for 1 h. After cooling, the reaction mixture was diluted with methanol and the solution was directly separated by preparative HPLC [Method 19]. This gave 11 mg (14% of theory) of the title compound.

후처리

  1. temperatureAfter cooling
  2. customthe solution was directly separated by preparative HPLC [Method 19]

출처 및 근거

ORD 기록
ord-37f9ed51468d44c1ab1d5c56ec614f36
출처 데이터셋
uspto-grants-2015_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09187466B2

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