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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Cesium carbonate → 6-(4-(1H-1,2,4-triazol-1-yl)benzyl)-5-chloro-1-isobutyl-3-methyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione

HRID 2205657
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HRID 2205657 반응식
[Cl:1][C:2]1[NH:3][CH:4]=[C:5]2[C:10]=1[C:9](=[O:11])[N:8]([CH3:12])[C:7](=[O:13])[N:6]2[CH2:14][CH:15]([CH3:17])[CH3:16].Br[CH2:19][C:20]1[CH:25]=[CH:24][C:23]([N:26]2[CH:30]=[N:29][CH:28]=[N:27]2)=[CH:22][CH:21]=1.C(=O)([O-])[O-].[Cs+].[Cs+]>CN(C=O)C.C(=O)(O)[O-].[Na+]>[N:26]1([C:23]2[CH:24]=[CH:25][C:20]([CH2:19][N:3]3[C:2]([Cl:1])=[C:10]4[C:5]([N:6]([CH2:14][CH:15]([CH3:17])[CH3:16])[C:7](=[O:13])[N:8]([CH3:12])[C:9]4=[O:11])=[CH:4]3)=[CH:21][CH:22]=2)[CH:30]=[N:29][CH:28]=[N:27]1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 3

HCID 10796Cesium carbonateHCID 27764891-(4-(bromomethyl)phenyl)-1H-1,2,4-triazoleHCID 67415912HCID 67415912, 화합물

생성물 1

HCID 701128166-(4-(1H-1,2,4-triazol-1-yl)benzyl)-5-chloro-1-isobutyl-3-methyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione수율 96.9%

시약·촉매·용매 2

HCID 6228Dimethylformamide용매
HCID 516892
Sodium Bicarbonate
용매

실험 절차

A suspension of 5-chloro-1-isobutyl-3-methyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione (103 mg, 0.4 mmol), 1-(4-(bromomethyl)phenyl)-1H-1,2,4-triazole (93 mg, 0.48 mmol) and cesium carbonate (195 mg, 0.6 mmol) in anhydrous DMF (3 mL) is stirred at room temperature for 3 hours. The mixture is diluted with 20 mL of saturated sodium bicarbonate, and then extracted with CH2Cl2 three times. The combined organic phase is washed with brine, and then dried with anhydrous Na2SO4. After filtration through celite, the filtrate is concentrated to dryness under vacuum to give 160 mg of crude product as light brown solids, which is used in the next step without further purification. MS (ESI) m/z 413.2 [M+H]+.

후처리

  1. extractionextracted with CH2Cl2 three times
  2. washThe combined organic phase is washed with brine
  3. dry with materialdried with anhydrous Na2SO4
  4. filtrationAfter filtration through celite
  5. concentrationthe filtrate is concentrated to dryness under vacuum

출처 및 근거

ORD 기록
ord-562e790218754594af60508044b0b106
출처 데이터셋
uspto-grants-2016_06
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09371327B2

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