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

Ethanol → ethyl 2-[4-(3-{[(1S)-1-(2-ethoxy-2-oxoethyl)-2,3-dihydro-1H-inden-5-yl]oxy}propoxy)-3-propylphenyl]-4-(hydroxymethyl)-1,3-thiazole-5-carboxylate

HRID 603428
노트
인쇄 미리보기

반응식

HRID 603428 반응식
[NH2:1][C:2]([C:4]1[CH:29]=[CH:28][C:7]([O:8][CH2:9][CH2:10][CH2:11][O:12][C:13]2[CH:14]=[C:15]3[C:19](=[CH:20][CH:21]=2)[C@H:18]([CH2:22][C:23]([O:25][CH2:26][CH3:27])=[O:24])[CH2:17][CH2:16]3)=[C:6]([CH2:30][CH2:31][CH3:32])[CH:5]=1)=[S:3].Cl[CH:34]1[C:38](=O)[CH2:37][O:36][C:35]1=[O:40].[CH3:41][CH2:42][OH:43]>>[CH2:26]([O:25][C:23](=[O:24])[CH2:22][C@H:18]1[C:19]2[C:15](=[CH:14][C:13]([O:12][CH2:11][CH2:10][CH2:9][O:8][C:7]3[CH:28]=[CH:29][C:4]([C:2]4[S:3][C:34]([C:35]([O:36][CH2:37][CH3:38])=[O:40])=[C:41]([CH2:42][OH:43])[N:1]=4)=[CH:5][C:6]=3[CH2:30][CH2:31][CH3:32])=[CH:21][CH:20]=2)[CH2:16][CH2:17]1)[CH3:27]
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

4

반응물 3

HCID 702EthanolHCID 41585753-Chloro-2,4(3H,5H)-furandioneHCID 16110446ethyl ((1S)-5-{3-[4-(aminocarbonothioyl)-2-propylphenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl)acetate

생성물 1

HCID 59300526ethyl 2-[4-(3-{[(1S)-1-(2-ethoxy-2-oxoethyl)-2,3-dihydro-1H-inden-5-yl]oxy}propoxy)-3-propylphenyl]-4-(hydroxymethyl)-1,3-thiazole-5-carboxylate수율 33%

반응 조건

온도
70 °C

실험 절차

Ethyl ((1S)-5-{3-[4-(aminocarbonothioyl)-2-propylphenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl)acetate (90 mg, 0.2 mmol) (Example 144) and 3-chloro-2,4(3H, 5H)-furandione (106 mg, 0.8 mmol) were dissolved in EtOH (anhydrous, 8 mL), and the mixture was heated at 70° C. for 18 h. The reaction was cooled to rt, and then concentrated under reduced pressure. Purification by silica gel flash chromatography (EtOAc:hexane (v/v)=1:1) gave 38 mg (33%) of the title compound as a clear oil. LC-MS: RT=4.38 min; (M+H)+ 582.3.

후처리

  1. temperatureThe reaction was cooled to rt
  2. concentrationconcentrated under reduced pressure
  3. customPurification by silica gel flash chromatography (EtOAc:hexane (v/v)=1:1)

출처 및 근거

ORD 기록
ord-be2727a929f14fb1b11fa476c1aa549b
출처 데이터셋
uspto-grants-2011_03
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07906653B2

반응 노트

불러오는 중…

이 페이지에서참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트