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

[3-Hydroxy-5-(trifluoromethyl)phenyl]boronic acid → HCID 59619818, 화합물

HRID 445583
노트
인쇄 미리보기

반응식

HRID 445583 반응식
Br[C:2]1[CH:11]=[CH:10][C:9]2[N:8]=[CH:7][C:6]3[N:12]([CH3:23])[C:13](=[O:22])[N:14]([C:15]4[C:16]([CH3:21])=[N:17][N:18]([CH3:20])[CH:19]=4)[C:5]=3[C:4]=2[CH:3]=1.[OH:24][C:25]1[CH:26]=[C:27](B(O)O)[CH:28]=[C:29]([C:31]([F:34])([F:33])[F:32])[CH:30]=1>>[CH3:20][N:18]1[CH:19]=[C:15]([N:14]2[C:5]3[C:4]4[CH:3]=[C:2]([C:27]5[CH:28]=[C:29]([C:31]([F:34])([F:32])[F:33])[CH:30]=[C:25]([OH:24])[CH:26]=5)[CH:11]=[CH:10][C:9]=4[N:8]=[CH:7][C:6]=3[N:12]([CH3:23])[C:13]2=[O:22])[C:16]([CH3:21])=[N:17]1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

3

반응물 2

HCID 45790688[3-Hydroxy-5-(trifluoromethyl)phenyl]boronic acidHCID 596197398-Bromo-1-(1,3-dimethyl-1H-pyrazol-4-yl)-3-methyl-1,3-dihydro-imidazo[4,5-c]quinolin-2-one2회

생성물 1

HCID 59619818HCID 59619818, 화합물

실험 절차

The title compound was synthesized in a similar manner as described for Example 1.1 using 8-bromo-1-(1,3-dimethyl-1H-pyrazol-4-yl)-3-methyl-1,3-dihydro-imidazo[4,5-c]quinolin-2-one (Intermediate A, 40 mg, 0.107 mmol) and 3-hydroxy-5-(trifluoromethyl)phenylboronic acid (Combi-Blocks, San Diego, USA, 27 mg, 0.132 mmol) to give the title compound as a white solid. (HPLC: tR 2.83 min (Method A); M+H=454 MS-ES; 1H-NMR (d6-DMSO, 400 MHz) 10.38 (s, br, 1H), 8.98 (s, 1H), 8.18 (s, 1H), 8.12-8.07 (m, 1H), 7.93-7.87 (m, 1H), 7.58-7.53 (m, 1H), 7.21-7.16 (m, 1H), 7.13-7.09 (m, 1H), 7.07-7.03 (m, 1H), 3.89 (s, 3H), 3.58 (s, 3H), 1.93 (s, 3H))

후처리

  1. customThe title compound was synthesized in a similar manner

출처 및 근거

ORD 기록
ord-c29b44603f3443b98052ab827ab0e006
출처 데이터셋
uspto-grants-2013_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08476294B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트