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Potassium Hydroxide → 2-(5-(4-Amino-4-methylpentyloxy)-1-methyl-1H-indazol-3-yl)-5-trityl-5H-pyrrolo[3,2-b]pyrazine-7-carboxylic acid

HRID 246736
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HRID 246736 반응식
[NH2:1][C:2]([CH3:50])([CH3:49])[CH2:3][CH2:4][CH2:5][O:6][C:7]1[CH:8]=[C:9]2[C:13](=[CH:14][CH:15]=1)[N:12]([CH3:16])[N:11]=[C:10]2[C:17]1[N:22]=[C:21]2[C:23]([C:45]([O:47]C)=[O:46])=[CH:24][N:25]([C:26]([C:39]3[CH:44]=[CH:43][CH:42]=[CH:41][CH:40]=3)([C:33]3[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=3)[C:27]3[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=3)[C:20]2=[N:19][CH:18]=1.[OH-].[K+]>O.O1CCOCC1>[NH2:1][C:2]([CH3:50])([CH3:49])[CH2:3][CH2:4][CH2:5][O:6][C:7]1[CH:8]=[C:9]2[C:13](=[CH:14][CH:15]=1)[N:12]([CH3:16])[N:11]=[C:10]2[C:17]1[N:22]=[C:21]2[C:23]([C:45]([OH:47])=[O:46])=[CH:24][N:25]([C:26]([C:27]3[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=3)([C:33]3[CH:34]=[CH:35][CH:36]=[CH:37][CH:38]=3)[C:39]3[CH:44]=[CH:43][CH:42]=[CH:41][CH:40]=3)[C:20]2=[N:19][CH:18]=1
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참가 물질

5

반응물 2

HCID 14797Potassium HydroxideHCID 71279592methyl 2-(5-(4-amino-4-methylpentyloxy)-1-methyl-1H-indazol-3-yl)-5-trityl-5H-pyrrolo[3,2-b]pyrazine-7-carboxylate

생성물 1

HCID 712808552-(5-(4-Amino-4-methylpentyloxy)-1-methyl-1H-indazol-3-yl)-5-trityl-5H-pyrrolo[3,2-b]pyrazine-7-carboxylic acid수율 102.4%

시약·촉매·용매 2

HCID 962Water용매
HCID 31275
1,4-Dioxane
용매

실험 절차

A mixture of methyl 2-(5-(4-amino-4-methylpentyloxy)-1-methyl-1H-indazol-3-yl)-5-trityl-5H-pyrrolo[3,2-b]pyrazine-7-carboxylate (100 mg, 0.15 mmol), potassium hydroxide (280 mg, 5 mmol) in 2.5 mL of water and 5 mL of 1,4-dioxane was heated to reflux for 90 min. The reaction mixture was cooled to room temperature, solvent evaporated, the residue diluted with H2O (25 mL) and the mixture acidified with 1N HCl to pH=7. The residue was extracted with EtOAc (100 mL). The organic layer was washed with H2O (100 mL), brine (100 mL), dried over Na2SO4 and concentrated under reduced pressure to give 2-(5-(4-Amino-4-methylpentyloxy)-1-methyl-1H-indazol-3-yl)-5-trityl-5H-pyrrolo[3,2-b]pyrazine-7-carboxylic acid as yellow solid (100 mg, >100%) which was used to next step without further purification. LCMS: (M+H)+=651.

후처리

  1. temperaturewas heated
  2. temperatureto reflux for 90 min
  3. customsolvent evaporated
  4. additionthe residue diluted with H2O (25 mL)
  5. extractionThe residue was extracted with EtOAc (100 mL)
  6. washThe organic layer was washed with H2O (100 mL), brine (100 mL)
  7. dry with materialdried over Na2SO4
  8. concentrationconcentrated under reduced pressure

출처 및 근거

ORD 기록
ord-afb2fa993e4740fd893ab0986969a06e
출처 데이터셋
uspto-grants-2014_02
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08658646B2

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