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

2,4-Dichloropyrimidine → 4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-[1-(2-chloro-pyrimidin-4-yl)-piperidin-4-ylmethyl]-piperazin-2-one

HRID 1433091
노트
인쇄 미리보기

반응식

HRID 1433091 반응식
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]2[CH:9]=[C:8]([S:10]([N:13]3[CH2:18][CH2:17][N:16]([CH2:19][CH:20]4[CH2:25][CH2:24][NH:23][CH2:22][CH2:21]4)[C:15](=[O:26])[CH2:14]3)(=[O:12])=[O:11])[S:7][C:6]=2[CH:27]=1.[Cl:28][C:29]1[N:34]=[C:33](Cl)[CH:32]=[CH:31][N:30]=1.C(N(C(C)C)CC)(C)C>C(O)CCC>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]2[CH:9]=[C:8]([S:10]([N:13]3[CH2:18][CH2:17][N:16]([CH2:19][CH:20]4[CH2:21][CH2:22][N:23]([C:31]5[CH:32]=[CH:33][N:34]=[C:29]([Cl:28])[N:30]=5)[CH2:24][CH2:25]4)[C:15](=[O:26])[CH2:14]3)(=[O:12])=[O:11])[S:7][C:6]=2[CH:27]=1
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 775312,4-DichloropyrimidineHCID 81531DiisopropylethylamineHCID 670148114-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-piperidin-4-ylmethyl-piperazin-2-one

생성물 1

HCID 98073084-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-[1-(2-chloro-pyrimidin-4-yl)-piperidin-4-ylmethyl]-piperazin-2-one

시약·촉매·용매 1

HCID 2631-Butanol용매

반응 조건

온도
110 °C

실험 절차

To a solution of 4-(6-chloro-benzo[b]thiophene-2-sulfonyl)-1-piperidin-4-ylmethyl-piperazin-2-one (40 mg, 0.094 mmole) in n-butanol (1.0 mL) is added 2,4-dichloropyrimidine (14, 0.094 mmole) and diisopropylethylamine (0.016 mL, 0.094 mmole) and this mixture is heated at 110° C. for 4 hours. The reaction is concentrated and purified by column chromatography (silica, 25% ethyl acetate/dichloromethane) to yield 4-(6-chloro-benzo[b]thiophene-2-sulfonyl)-1-[1-(2-chloro-pyrimidin-4-yl)-piperidin-4-ylmethyl]-piperazin-2-one. 1H NMR (300 MHz, CDCl3) d 8.01 (d, 1H), 7.89-7.87 (m, 3H), 7.48 (dd, 1H), 6.35 (d, 1H), 4.41-4.20 (m, 2H), 3.87 (s, 2H), 3.48 (s, 4H), 3.28 (dd, 2H), 2.05-1.95 (m, 1H), 1.67 (d, 2H), 1.31-1.20 (m, 2H); MS (Ion spray) 542 (M+H)+.

후처리

  1. concentrationThe reaction is concentrated
  2. custompurified by column chromatography (silica, 25% ethyl acetate/dichloromethane)

출처 및 근거

ORD 기록
ord-bccf6f704faf430094c1d316191374db
출처 데이터셋
uspto-grants-2009_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07612075B2

반응 노트

불러오는 중…

이 페이지에서참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트