5-Aminobenzimidazole → HCID 178458237, 화합물

HRID 452061

반응식

HRID 452061 반응식
[NH2:1][C:2]1[CH:10]=[CH:9][C:5]2[N:6]=[CH:7][NH:8][C:4]=2[CH:3]=1.[CH2:11]([O:14][C:15]1[CH:22]=[CH:21][C:18]([CH:19]=O)=[CH:17][CH:16]=1)[CH2:12][CH3:13].[Si](C#N)(C)(C)C.[N:29]1([C:34](N2C=CN=C2)=[O:35])C=CN=[CH:30]1>>[NH:6]1[C:5]2[CH:9]=[CH:10][C:2]([N:1]3[CH:19]([C:18]4[CH:21]=[CH:22][C:15]([O:14][CH2:11][CH2:12][CH3:13])=[CH:16][CH:17]=4)[CH2:30][NH:29][C:34]3=[O:35])=[CH:3][C:4]=2[N:8]=[CH:7]1

참가 물질

5

반응물 4

HCID 136235-AminobenzimidazoleHCID 682631,1'-CarbonyldiimidazoleHCID 798124-PropoxybenzaldehydeHCID 82115Trimethylsilyl cyanide

생성물 1

HCID 178458237HCID 178458237, 화합물

실험 절차

The compound was synthesized starting from 5-aminobenzimidazole (0.585 g, 4.4 mmol), 4-propoxybenzaldehyde (0.632 mL, 4 mmol), TMSCN (0.5 mL, 4 mmol), PdC (10%, 0.02 g), TEA 0.558 mL, 4 mmol), di-(imidazol-1-yl)methanone (0.648, 4 mmol) as described in method 2. Yield: 0.135 g (10.0%); MS m/z 337.0 (M+H)+; 1H NMR (DMSO, 400 MHz): δ 0.90-0.93 (m, 3H); 1.61-1.70 (m, 2H); 3.08-3.12 (m, H); 3.81-3.87 (m, 3H); 5.49-5.53 (m, H); 6.85 (d, 2H, J=8.3 Hz); 7.19 (s, H); 7.25 (d, 2H, J=8.7 Hz); 7.55 (dd, H, 3J=9.1 Hz, 4J=2.1 Hz); 7.62 (d, H, J=9.1 Hz); 7.86 (d, H, 4J=2.1 Hz); 9.21 (s, H), HPLC (λ=214 nm, [B]: rt 9.00 min (99%).

후처리

  1. customThe compound was synthesized
  2. customrt 9.00 min (99%)

출처 및 근거

ORD 기록
ord-234c99225a1143989eeb799fddd87bc6
출처 데이터셋
uspto-grants-2013_07
특허 번호
US08486940B2

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