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

1-Hydroxybenzotriazole → (RS)-1-[2-(5,6-Difluoro-1H-benzoimidazol-2-ylmethyl)-piperidin-1-yl]-1-[5-(4-fluoro-phenyl)-2-hydroxymethyl-thiazol-4-yl]-methanone

HRID 2378017
노트
인쇄 미리보기

반응식

HRID 2378017 반응식
[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[S:12][C:11]([CH2:13][OH:14])=[N:10][C:9]=2[C:15]([OH:17])=O)=[CH:4][CH:3]=1.CCN=C=NCCCN(C)C.Cl.ON1C2C=CC=CC=2N=N1.[F:40][C:41]1[C:56]([F:57])=[CH:55][C:44]2[NH:45][C:46]([CH2:48][CH:49]3[CH2:54][CH2:53][CH2:52][CH2:51][NH:50]3)=[N:47][C:43]=2[CH:42]=1>CN(C=O)C>[F:40][C:41]1[C:56]([F:57])=[CH:55][C:44]2[NH:45][C:46]([CH2:48][CH:49]3[CH2:54][CH2:53][CH2:52][CH2:51][N:50]3[C:15]([C:9]3[N:10]=[C:11]([CH2:13][OH:14])[S:12][C:8]=3[C:5]3[CH:4]=[CH:3][C:2]([F:1])=[CH:7][CH:6]=3)=[O:17])=[N:47][C:43]=2[CH:42]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 757711-HydroxybenzotriazoleHCID 27239391,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochlorideHCID 17973671(RS)-5,6-difluoro-2-piperidin-2-ylmethyl-1H-benzoimidazoleHCID 234501385-(4-Fluoro-phenyl)-2-hydroxymethyl-thiazole-4-carboxylic acid

생성물 1

HCID 17973696(RS)-1-[2-(5,6-Difluoro-1H-benzoimidazol-2-ylmethyl)-piperidin-1-yl]-1-[5-(4-fluoro-phenyl)-2-hydroxymethyl-thiazol-4-yl]-methanone
수율 36%

시약·촉매·용매 1

HCID 6228Dimethylformamide용매

실험 절차

A strirring solution of 5-(4-fluoro-phenyl)-2-hydroxymethyl-thiazole-4-carboxylic acid (632 mg, 2.0 mmol, 80% pure), EDC.HCl (311 mg, 2.0 mmol) and 1-hydroxybenzotriazole (270 mg, 2.0 mmol) in DMF (20 ml) was treated with (RS)-5,6-difluoro-2-piperidin-2-ylmethyl-1H-benzoimidazole, D18 (500 mg, 2.0 mmol). The reaction mixture was stirred at room temperature, under argon for 16 h. The DMF was removed in vacuo and the residue was partitioned between ethyl acetate and water. The organic phase was dried (Na2SO4) and the solvent removed in vacuo. Chromatography (silica gel, 0-10% methanol-ethyl acetate) afforded the title compound as a pale yellow solid (350 mg, 36%).

후처리

  1. customThe DMF was removed in vacuo
  2. customthe residue was partitioned between ethyl acetate and water
  3. dry with materialThe organic phase was dried (Na2SO4)
  4. customthe solvent removed in vacuo

출처 및 근거

ORD 기록
ord-aa139f46c55043ed9b8aa288ca5c8a59
출처 데이터셋
uspto-grants-2008_12
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07470710B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트