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

Ethanol → [4-(3,5-Difluorophenyl)-8-(Trifluoromethyl)Quinolin-3-yl](Phenyl)Methanone

HRID 2104590
노트
인쇄 미리보기

반응식

HRID 2104590 반응식
Cl[C:2]1[C:11]2[C:6](=[C:7]([C:12]([F:15])([F:14])[F:13])[CH:8]=[CH:9][CH:10]=2)[N:5]=[CH:4][C:3]=1[C:16]([C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1)=[O:17].[F:24][C:25]1[CH:26]=[C:27](B(O)O)[CH:28]=[C:29]([F:31])[CH:30]=1.C(=O)([O-])[O-].[Na+].[Na+].C(O)C>O.C(COC)OC.[Pd].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1>[F:24][C:25]1[CH:26]=[C:27]([C:2]2[C:11]3[C:6](=[C:7]([C:12]([F:15])([F:14])[F:13])[CH:8]=[CH:9][CH:10]=3)[N:5]=[CH:4][C:3]=2[C:16]([C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)=[O:17])[CH:28]=[C:29]([F:31])[CH:30]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

8

반응물 4

HCID 702EthanolHCID 10340Sodium CarbonateHCID 2734338(3,5-Difluorophenyl)boronic acidHCID 16090325[4-Chloro-8-(trifluoromethyl)quinolin-3-yl](phenyl)methanone

생성물 1

HCID 66913505[4-(3,5-Difluorophenyl)-8-(Trifluoromethyl)Quinolin-3-yl](Phenyl)Methanone수율 48%

시약·촉매·용매 3

HCID 11979704
Tetrakis(triphenylphosphine)palladium
촉매
HCID 962Water용매
HCID 80711,2-Dimethoxyethane용매

실험 절차

To (4-chloro-8-trifluoromethyl-quinoline-3-yl)-phenyl-methanone (150 mg, 0.448 mmol), 3,5-difluorophenyl boronic acid (141 mg, 0.895 mmol), tetrakis(triphenylphosphine) palladium (52 mg, 0.045 mmol), sodium carbonate (50 mg, 1.41 mmol) in water (750 ml), glyme (2 ml), and ethanol (350 ml), was subjected to micro wave conditions (140° C., 300 watts, 300 sec.). The resulting dark red-brown mixture was filtered concentration in vacuo. Reverse phase gradient HPLC (CH3CN, H2O) afforded the title compound as a yellow powder (88 mg, 48%). MS (ESI) m/z 414; HRMS: calcd for C23H12F5NO, 413.0839; found (ESI, [M+H]+), 414.0911.

후처리

  1. customwas subjected to micro wave conditions (140° C., 300 watts, 300 sec.)
  2. filtrationThe resulting dark red-brown mixture was filtered
  3. concentrationconcentration in vacuo

출처 및 근거

ORD 기록
ord-daddaa5a6c344b74a18caf6f4528ee76
출처 데이터셋
uspto-grants-2009_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07576215B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트