홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /반응

Ethanol → 5-Fluoro-2-(4-((2-phenyl-1H-imidazol-5-yl)methyl)-1-piperazinyl)pyrimidine

HRID 1075655
노트
인쇄 미리보기

반응식

HRID 1075655 반응식
[F:1][C:2]1[CH:3]=[N:4][C:5]([N:8]2[CH2:13][CH2:12][NH:11][CH2:10][CH2:9]2)=[N:6][CH:7]=1.C(O[CH2:18][C:19]1[NH:23][C:22]([C:24]2[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=2)=[N:21][CH:20]=1)(=O)C.C1(C)C=CC=CC=1.C(O)C>CN(C1C=CN=CC=1)C.O.C(N(CC)CC)C>[F:1][C:2]1[CH:3]=[N:4][C:5]([N:8]2[CH2:9][CH2:10][N:11]([CH2:18][C:19]3[NH:23][C:22]([C:24]4[CH:25]=[CH:26][CH:27]=[CH:28][CH:29]=4)=[N:21][CH:20]=3)[CH2:12][CH2:13]2)=[N:6][CH:7]=1
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

8

반응물 4

HCID 702EthanolHCID 1140TolueneHCID 100581585-Fluoro-2-(piperazin-1-yl)pyrimidineHCID 101767595-Acetoxymethyl-2-phenyl-1H-imidazole

생성물 1

HCID 98499105-Fluoro-2-(4-((2-phenyl-1H-imidazol-5-yl)methyl)-1-piperazinyl)pyrimidine

시약·촉매·용매 3

HCID 14284
4-(Dimethylamino)pyridine
촉매
HCID 962Water용매
HCID 8471Triethylamine용매

반응 조건

온도
52.5 °C

실험 절차

Mix 5-fluoro-2-piperazinyl-pyrimidine (900 g), 5-acetoxymethyl-2-phenyl-1H-imidazole (1.17 Kg, 1.1 equivalents), DMAP (N,N-dimethylaminopyridine, 30 g), toluene (7.2 L), ethanol (1.8 L) and triethylamine (1.095 L) at 20-25° C., and heat the mixture with stirring at 50-55° C. until the reaction is complete (typically about 20-25 hours). Then add water (3.75 L) and cool the resulting suspension to 0-50° C. Filter off the product, wash it with water (6×1.4 L) and cold toluene (3×700 ml), and dry it under vacuum at 50-55° C. to constant weight.

후처리

  1. temperatureheat the mixture
  2. customtypically about 20-25 hours
  3. filtrationFilter off the product
  4. washwash it with water (6×1.4 L) and cold toluene (3×700 ml)
  5. customdry it under vacuum at 50-55° C. to constant weight

출처 및 근거

ORD 기록
ord-4b1a142c08cc47d195f3dbf3af683da3
출처 데이터셋
uspto-grants-1999_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US05905152

반응 노트

불러오는 중…

이 페이지에서참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트