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Benzene → HCID 68078899, 화합물

HRID 476049
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HRID 476049 반응식
[CH3:1][C:2]1[CH:6]=[C:5]([NH2:7])[N:4]([C:8]2[CH:13]=[CH:12][N:11]=[CH:10][CH:9]=2)[N:3]=1.[CH:14]1([C:17](=O)[CH2:18][C:19](=O)[C:20]([O:22][CH2:23][CH3:24])=[O:21])[CH2:16][CH2:15]1.C1C=CC=CC=1>C(O)(=O)C>[CH:14]1([C:17]2[CH:18]=[C:19]([C:20]([O:22][CH2:23][CH3:24])=[O:21])[C:6]3[C:2]([CH3:1])=[N:3][N:4]([C:8]4[CH:13]=[CH:12][N:11]=[CH:10][CH:9]=4)[C:5]=3[N:7]=2)[CH2:15][CH2:16]1
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참가 물질

5

반응물 3

HCID 241BenzeneHCID 47379833-Methyl-1-(pyridin-4-yl)-1H-pyrazol-5-amineHCID 16779961Ethyl 4-cyclopropyl-2,4-dioxobutanoate

생성물 1

HCID 68078899HCID 68078899, 화합물

시약·촉매·용매 1

HCID 176Acetic Acid용매

실험 절차

The title compound was prepared in the same manner as described for intermediate 30 using 3-methyl-1-(4-pyridinyl)-1H-pyrazol-5-amine (310 mg, 1.780 mmol), ethyl 4-cyclopropyl-2,4-dioxobutanoate (328 mg, 1.780 mmol), benzene (50 mL), and acetic acid (25 mL). The final product was collected as 3.71 (71% overall). LCMS E-S (M+H)=323.5 1H NMR (400 MHz, DMSO-d6) δ ppm 1.15-1.22 (m, 4H), 1.41 (t, J=7.07 Hz, 3H), 2.64-2.69 (m, 4H), 4.47 (q, J=7.07 Hz, 2H), 7.74 (s, 1H), 8.27-8.36 (m, 2H), 8.66-8.71 (m, 2H).

후처리

  1. customThe final product was collected as 3.71 (71% overall)

출처 및 근거

ORD 기록
ord-16c29ef7309b4591840d814c80f380a9
출처 데이터셋
uspto-grants-2014_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08637509B2

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