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Sodium Azide → 2-[4-(Diphenylmethoxy)phenyl]-1-cyclohexyl-5-(1H-tetrazol-5-yl)-1H-benzimidazole

HRID 392961
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HRID 392961 반응식
[Cl-].[Cl-].[Cl-].[Al+3].[N-:5]=[N+:6]=[N-:7].[Na+].[N-]=[N+]=[N-].[Al+3].[N-]=[N+]=[N-].[N-]=[N+]=[N-].[C:19]1([CH:25]([C:50]2[CH:55]=[CH:54][CH:53]=[CH:52][CH:51]=2)[O:26][C:27]2[CH:32]=[CH:31][C:30]([C:33]3[N:37]([CH:38]4[CH2:43][CH2:42][CH2:41][CH2:40][CH2:39]4)[C:36]4[CH:44]=[CH:45][C:46]([C:48]#[N:49])=[CH:47][C:35]=4[N:34]=3)=[CH:29][CH:28]=2)[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1>>[C:50]1([CH:25]([C:19]2[CH:20]=[CH:21][CH:22]=[CH:23][CH:24]=2)[O:26][C:27]2[CH:32]=[CH:31][C:30]([C:33]3[N:37]([CH:38]4[CH2:43][CH2:42][CH2:41][CH2:40][CH2:39]4)[C:36]4[CH:44]=[CH:45][C:46]([C:48]5[NH:49][N:7]=[N:6][N:5]=5)=[CH:47][C:35]=4[N:34]=3)=[CH:29][CH:28]=2)[CH:51]=[CH:52][CH:53]=[CH:54][CH:55]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 33557Sodium AzideHCID 6451240Aluminum(III) ChlorideHCID 21652180Aluminum azideHCID 226607932-[4-(Diphenylmethoxy)phenyl]-1-cyclohexyl-1H-benzimidazole-5-carbonitrile

생성물 1

HCID 1784203842-[4-(Diphenylmethoxy)phenyl]-1-cyclohexyl-5-(1H-tetrazol-5-yl)-1H-benzimidazole수율 20.6%

실험 절차

Aluminum trichloride (33 mg, 0.247 mmol) was added to ice cold THF (4 mL). Sodium azide (48 mg, 0.744 mmol) was added and the resulting mixture was stirred under reflux for 30 min to complete the formation of the aluminum azide. Compound 8 (100 mg, 0.206 mmol) was added and the mixture stirred under reflux for 18 h. The reaction mixture was poured into ice cold dilute HCl to precipitate a solid. The solid was dissolved in DMF (2 mL) and the solution applied to a Shimadzu Prep HPLC. The product containing fractions were combined. Removal of the methanol resulted in the precipitation of 9 as a colorless solid (22.3 mg, 20.6% yield). ESI-MS m/e 527 (M=1). 1H NMR (DMSO) δ 8.33 (s, 1H), 8.20 (d, 1H, J=8.6 Hz), 8.0 (1H, d, J=7.41 Hz), 7.63 (d, 2H, J=8.7 Hz), 7.55 (d, 4H, J=7.2 Hz), 7.41-7.37 (m, 4H), 7.34-7.26 (m, 4). 6.72 (s, 1H), 4.34-4.27 (m, 1H), 2.36-2.23 (m, 2H), 1.97-1.83 (m, 4H), 1.66-1.62 (m, 1H), 1.43-1.21 (m. 3H).

후처리

  1. temperatureunder reflux for 30 min
  2. stirringthe mixture stirred
  3. temperatureunder reflux for 18 h
  4. additionThe reaction mixture was poured into ice cold dilute HCl
  5. customto precipitate a solid
  6. dissolutionThe solid was dissolved in DMF (2 mL)
  7. additionThe product containing fractions
  8. customRemoval of the methanol

출처 및 근거

ORD 기록
ord-7c73f6c2d1f541cebf85bdd1129ee807
출처 데이터셋
uspto-grants-2004_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06803374B2

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