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Water → N-[(4aR,7aS)-6-(5-Fluoropyrimidin-2-yl)-7a-phenyl-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-2-yl]benzamide

HRID 470264
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인쇄 미리보기

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HRID 470264 반응식
CN(C)C(N(C)C)=N.[C:9]1([C@:15]23[CH2:23][NH:22][CH2:21][C@H:20]2[CH2:19][S:18][C:17]([NH:24][C:25](=[O:32])[C:26]2[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=2)=[N:16]3)[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1.[F:33][C:34]1[CH:35]=[N:36][C:37](Cl)=[N:38][CH:39]=1.O>CS(C)=O>[F:33][C:34]1[CH:35]=[N:36][C:37]([N:22]2[CH2:21][C@@H:20]3[C@@:15]([C:9]4[CH:10]=[CH:11][CH:12]=[CH:13][CH:14]=4)([N:16]=[C:17]([NH:24][C:25](=[O:32])[C:26]4[CH:27]=[CH:28][CH:29]=[CH:30][CH:31]=4)[S:18][CH2:19]3)[CH2:23]2)=[N:38][CH:39]=1
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 962WaterHCID 664601,1,3,3-TetramethylguanidineHCID 5834662-Chloro-5-fluoropyrimidineHCID 86762229N-[(4aR,7aS)-7a-Phenyl-4a,5,6,7-tetrahydro-4H-pyrrolo[3,4-d][1,3]thiazin-2-yl]benzamide

생성물 1

HCID 86762233N-[(4aR,7aS)-6-(5-Fluoropyrimidin-2-yl)-7a-phenyl-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-2-yl]benzamide수율 99.6%

시약·촉매·용매

1
HCID 679Dimethyl Sulfoxide용매

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온도
100 °C

실험 절차

N,N,N′,N′-tetramethylguanidine (3.4 mL, 27 mmol) is added to a solution of N-[(4aR,7aS)-7a-phenyl-4a,5,6,7-tetrahydro-4H-pyrrolo[3,4-d][1,3]thiazin-2-yl]benzamide (7.5 g, 22 mmol) and 5-fluoro-2-chloropyrimidine (3.5 g, 27 mmol) in dimethylsulfoxide (75 mL). The reaction is stirred at 100° C. for 2 hours, cooled to room temperature and water is added (225 mL). The precipitated product is isolated by filtration and is dried in a vacuum oven at 45° C. to give the title compound (9.5 g, 99%). ES/MS (m/e): 434 (M+H).

후처리

  1. temperaturecooled to room temperature
  2. customThe precipitated product is isolated by filtration
  3. customis dried in a vacuum oven at 45° C.

출처 및 근거

ORD 기록
ord-52a67b8e0fa24e3da0f0dd7a751a7f6e
출처 데이터셋
uspto-grants-2014_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08629270B2

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