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Acetic Acid → 2-((2-chloro-5-cyano-3-(1-methylhexahydro-1H-pyrrolo[3,2-c]pyridin-5 (6H)-yl)phenyl)amino)-4-(cyclopropyl(4-methoxybenzyl)amino)imidazo[2,1-f][1,2,4]triazine-7-carbonitrile

HRID 921815
ノート
印刷プレビュー

反応式

HRID 921815 の反応式
[C:1](O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].[Cl:15][C:16]1[C:21]([N:22]2[CH2:27][CH2:26][CH:25]3[NH:28][CH2:29][CH2:30][CH:24]3[CH2:23]2)=[CH:20][C:19]([C:31]#[N:32])=[CH:18][C:17]=1[NH:33][C:34]1[N:39]=[C:38]([N:40]([CH:50]2[CH2:52][CH2:51]2)[CH2:41][C:42]2[CH:47]=[CH:46][C:45]([O:48][CH3:49])=[CH:44][CH:43]=2)[C:37]2=[N:53][CH:54]=[C:55]([C:56]#[N:57])[N:36]2[N:35]=1.C=O.C(O)(=O)C>ClCCl>[Cl:15][C:16]1[C:21]([N:22]2[CH2:27][CH2:26][CH:25]3[N:28]([CH3:1])[CH2:29][CH2:30][CH:24]3[CH2:23]2)=[CH:20][C:19]([C:31]#[N:32])=[CH:18][C:17]=1[NH:33][C:34]1[N:39]=[C:38]([N:40]([CH:50]2[CH2:52][CH2:51]2)[CH2:41][C:42]2[CH:43]=[CH:44][C:45]([O:48][CH3:49])=[CH:46][CH:47]=2)[C:37]2=[N:53][CH:54]=[C:55]([C:56]#[N:57])[N:36]2[N:35]=1
参加物実験手順後処理出典と根拠反応ノート

参加物

6

反応物 4

HCID 176Acetic AcidHCID 712Formaldehyde2 回HCID 5049666Sodium triacetoxyborohydride2 回HCID 899228312-((2-chloro-5-cyano-3-(hexahydro-1H-pyrrolo[3,2-c]pyridin-5(6H)-yl)phenyl)amino)-4-(cyclopropyl(4-methoxybenzyl)amino)imidazo[2,1-f][1,2,4]triazine-7-carbonitrile

生成物 1

HCID 89922753
2-((2-chloro-5-cyano-3-(1-methylhexahydro-1H-pyrrolo[3,2-c]pyridin-5 (6H)-yl)phenyl)amino)-4-(cyclopropyl(4-methoxybenzyl)amino)imidazo[2,1-f][1,2,4]triazine-7-carbonitrile
収率 90.5%

試薬・触媒・溶媒 1

HCID 6344Dichloromethane溶媒2 回

実験手順

Sodium triacetoxyborohydride (20.66 mg, 0.097 mmol) was added to a solution of 2-((2-chloro-5-cyano-3-(hexahydro-1H-pyrrolo[3,2-c]pyridin-5(6H)-yl)phenyl)amino)-4-(cyclopropyl(4-methoxybenzyl)amino)imidazo[2,1-f][1,2,4]triazine-7-carbonitrile (Example 442F, 29 mg, 0.049 mmol), paraformaldehyde (14.63 mg, 0.487 mmol) and acetic acid (5.58 μl, 0.097 mmol) in dichloromethane (2 mL) and the reaction mixture was stirred at room temperature for 5 hours. More paraformaldehyde (14.63 mg, 0.487 mmol) and sodium triacetoxyborohydride (20.66 mg, 0.097 mmol) were added and stirring continued overnight. The reaction mixture was diluted with dichloromethane and washed with saturated sodium bicarbonate. The aqueous layer was extracted with dichloromethane two more times. The combined organic layers were dried over magnesium sulfate, filtered and concentrated in vacuo, the crude product was purified by flash chromatography on silica gel using an automated ISCO system (80 g column, eluting with 5-30% ethyl acetate/hexanes). 2-((2-chloro-5-cyano-3-(1-methylhexahydro-1H-pyrrolo[3,2-c]pyridin-5(6H)-yl)phenyl)amino)-4-(cyclopropyl(4-methoxybenzyl)amino)imidazo[2,1-f][1,2,4]triazine-7-carbonitrile (27 mg) was obtained as a white solid.

後処理

  1. stirringstirring continued overnight
  2. washwashed with saturated sodium bicarbonate
  3. extractionThe aqueous layer was extracted with dichloromethane two more times
  4. dry with materialThe combined organic layers were dried over magnesium sulfate
  5. filtrationfiltered
  6. concentrationconcentrated in vacuo
  7. customthe crude product was purified by flash chromatography on silica gel using
  8. washan automated ISCO system (80 g column, eluting with 5-30% ethyl acetate/hexanes)

出典と根拠

ORDレコード
ord-903149f7ea0747d3adc858de8202ca62
出典データセット
uspto-grants-2016_03
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09273057B2

反応ノート

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このページの内容参加物実験手順後処理出典と根拠反応ノート