3-Fluorophenyl isocyanate → HCID 24872152, 화합물

HRID 1172800

반응식

HRID 1172800 반응식
[Cl:1][C:2]1[N:6]2[C:7]([CH2:12][C:13]3[CH:18]=[CH:17][C:16]([F:19])=[C:15]([C:20]([N:22]4[CH2:27][CH2:26][NH:25][CH2:24][CH2:23]4)=[O:21])[CH:14]=3)=[CH:8][NH:9][C:10](=[O:11])[C:5]2=[CH:4][C:3]=1[Cl:28].[F:29][C:30]1[CH:35]=[CH:34][CH:33]=[C:32]([N:36]=[C:37]=[O:38])[CH:31]=1>CN(C=O)C>[Cl:1][C:2]1[N:6]2[C:7]([CH2:12][C:13]3[CH:18]=[CH:17][C:16]([F:19])=[C:15]([CH:14]=3)[C:20]([N:22]3[CH2:23][CH2:24][N:25]([C:37]([NH:36][C:32]4[CH:33]=[CH:34][CH:35]=[C:30]([F:29])[CH:31]=4)=[O:38])[CH2:26][CH2:27]3)=[O:21])=[CH:8][NH:9][C:10](=[O:11])[C:5]2=[CH:4][C:3]=1[Cl:28]

참가 물질

4

반응물 2

HCID 1230643-Fluorophenyl isocyanateHCID 462297546,7-dichloro-4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)pyrrolo[1,2-a]pyrazin-1(2H)-one

생성물 1

HCID 24872152HCID 24872152, 화합물

시약·촉매·용매 1

HCID 6228Dimethylformamide용매

실험 절차

To a solution of Example 16, P1 in DMF (0.1 M) was added 1-fluoro-3-isocyanatobenzene (1 eq). The resulting mixture was stirred for 1 hour at RT. The product was isolated by purification at preparative-HPLC. 1H NMR (300 MHz, DMSO-d6) δ: 10.90 (1H, m), 8.80 (1H, s), 7.48-7.37 (1H, m), 7.35-7.20 (5H, m), 7.15 (1H, s), 6.80-6.69 (1H, m), 6.55 (1H, m), 4.38 (2H, m), 3.72-3.62 (2H, m), 3.59-3.50 (2H, m), 3.44-3.35 (2H, m), 3.27-3.16 (2H, m). MS (ES) C26H21Cl2F2N5O3 requires: 559/561, found: 560/562 (M+H)+.

후처리

  1. customThe product was isolated by purification at preparative-HPLC

출처 및 근거

ORD 기록
ord-8a7cafc925e54643972ee035d3f3ae70
출처 데이터셋
uspto-grants-2010_11
특허 번호
US07834015B2

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