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

5-Propylcyclohexane-1,3-dione → 4-[3-Bromo-4-(2-methoxy-ethylamino)-5-(pyrrolidine-1-sulfonyl)-phenyl]-2-methyl-5-oxo-7-propyl-1,4,5,6,7,8-hexahydro-quinoline-3-carbonitrile

HRID 909395
노트
인쇄 미리보기

반응식

HRID 909395 반응식
[Br:1][C:2]1[CH:3]=[C:4]([CH:7]=[C:8]([S:15]([N:18]2[CH2:22][CH2:21][CH2:20][CH2:19]2)(=[O:17])=[O:16])[C:9]=1[NH:10][CH2:11][CH2:12][O:13][CH3:14])[CH:5]=O.[CH3:23]/[C:24](/[NH2:28])=[CH:25]\[C:26]#[N:27].[CH2:29]([CH:32]1[CH2:37][C:36](=[O:38])[CH2:35][C:34](=O)[CH2:33]1)[CH2:30][CH3:31]>C(O)C>[Br:1][C:2]1[CH:3]=[C:4]([CH:5]2[C:35]3[C:36](=[O:38])[CH2:37][CH:32]([CH2:29][CH2:30][CH3:31])[CH2:33][C:34]=3[NH:28][C:24]([CH3:23])=[C:25]2[C:26]#[N:27])[CH:7]=[C:8]([S:15]([N:18]2[CH2:22][CH2:21][CH2:20][CH2:19]2)(=[O:17])=[O:16])[C:9]=1[NH:10][CH2:11][CH2:12][O:13][CH3:14]
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 27372245-Propylcyclohexane-1,3-dioneHCID 53247203-AminocrotonitrileHCID 873887983-Bromo-4-(2-methoxy-ethylamino)-5-(pyrrolidine-1-sulfonyl)-benzaldehyde

생성물 1

HCID 674104534-[3-Bromo-4-(2-methoxy-ethylamino)-5-(pyrrolidine-1-sulfonyl)-phenyl]-2-methyl-5-oxo-7-propyl-1,4,5,6,7,8-hexahydro-quinoline-3-carbonitrile

시약·촉매·용매 1

HCID 702
Ethanol
용매

반응 조건

온도
80 °C

실험 절차

A mixture of the product of step c (59 mg), 3-aminocrotonitrile (12.3 mg) and 5-propylcyclohexane-1,3-dione (23.1 mg) in ethanol (5 ml) was stirred at 80° C. for 17 h. The reaction mixture was concentrated in vacuo and the residue was purified by preparative HPLC (Method B). Yield: 57 mg. MS-ESI: [M+H]+=591.3/593.3; HPLC: Rt=18.43 min. Diast. ratio: 9:1

후처리

  1. concentrationThe reaction mixture was concentrated in vacuo
  2. customthe residue was purified by preparative HPLC (Method B)

출처 및 근거

ORD 기록
ord-1838a73898564ef3830e76f7c0e3774a
출처 데이터셋
uspto-grants-2011_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08017782B2

반응 노트

불러오는 중…

이 페이지에서참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트