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Sodium Hydroxide → 3-(2-(((4-Cyanophenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoic acid

HRID 449745
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HRID 449745 반응식
[OH-].[Na+].C([O:5][C:6](=[O:38])[CH2:7][CH2:8][N:9]([C:16]([C:18]1[CH:37]=[CH:36][C:21]2[N:22]([CH3:35])[C:23]([CH2:25][NH:26][C:27]3[CH:32]=[CH:31][C:30]([C:33]#[N:34])=[CH:29][CH:28]=3)=[N:24][C:20]=2[CH:19]=1)=[O:17])[C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][N:11]=1)C>C(O)C.O>[C:33]([C:30]1[CH:31]=[CH:32][C:27]([NH:26][CH2:25][C:23]2[N:22]([CH3:35])[C:21]3[CH:36]=[CH:37][C:18]([C:16]([N:9]([C:10]4[CH:15]=[CH:14][CH:13]=[CH:12][N:11]=4)[CH2:8][CH2:7][C:6]([OH:38])=[O:5])=[O:17])=[CH:19][C:20]=3[N:24]=2)=[CH:28][CH:29]=1)#[N:34]
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참가 물질

5

반응물 2

HCID 14798Sodium HydroxideHCID 11627749Ethyl 3-(((2-(((4-cyanophenyl)amino)methyl)-1-methyl-1H-benzimidazol-5-yl)carbonyl)pyridin-2-ylamino)propionate

생성물 1

HCID 184126863-(2-(((4-Cyanophenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoic acid

시약·촉매·용매 2

HCID 702Ethanol용매HCID 962Water
용매

실험 절차

To a solution of sodium hydroxide (50.0 mmol) in 500 mL ethanol and 50 mL water was added 3-({2-[(4-Cyano-phenylamino)-methyl]-1-methyl-1H-benzoimidazole-5-carbonyl}-pyridin-2-yl-amino)-propionic acid ethyl ester (41.4 mmol). The mixture was stirred at room temperature for three hours, then ca. 350 mL ethanol were distilled off, ca. 100 mL water was added and the pH was adjusted to 6. Then diethylether (50 mL) was added and the mixture stirred over night. The product was isolated by filtration and used without further purification.

후처리

  1. distillationca. 350 mL ethanol were distilled off
  2. additionca. 100 mL water was added
  3. additionThen diethylether (50 mL) was added
  4. stirringthe mixture stirred over night
  5. customThe product was isolated by filtration
  6. customused without further purification

출처 및 근거

ORD 기록
ord-744660de7a06430eab6319ed41fe7992
출처 데이터셋
uspto-grants-2013_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08486398B2

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