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

Acetic Acid → HCID 178500506, 화합물

HRID 2206548
노트
인쇄 미리보기

반응식

HRID 2206548 반응식
[O:1]1[CH2:6][CH2:5][O:4][CH2:3][CH:2]1[CH:7]([NH2:9])[CH3:8].[Br:10][C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][C:12]=1[CH:17]([C:22](=O)[CH3:23])[C:18]([O:20][CH3:21])=[O:19].C(O)(=O)C>CO>[O:1]1[CH2:6][CH2:5][O:4][CH2:3][CH:2]1[CH:7](/[N:9]=[C:22](\[CH3:23])/[CH:17]([C:12]1[CH:13]=[CH:14][CH:15]=[CH:16][C:11]=1[Br:10])[C:18]([O:20][CH3:21])=[O:19])[CH3:8]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 176Acetic AcidHCID 54499564HCID 54499564, 화합물HCID 82306029Methyl 2-(2-bromophenyl)-3-oxobutanoate

생성물 1

HCID 178500506HCID 178500506, 화합물

시약·촉매·용매 1

HCID 887Methanol용매

실험 절차

To a solution of 1-(1,4-dioxan-2-yl)ethanamine (2.5 g, 19 mmol) in methanol (100 mL) was added methyl 2-(2-bromophenyl)-3-oxobutanoate (5.4 g, 20 mmol) and acetic acid (1.8 g, 30 mmol). The resulting reaction system was warm to reflux and allowed to stir overnight. The reaction mixture was concentrated and purified by column chromatographed on silica gel (eluted: dichloromethane/methanol 50:1→20:1→5:1) the title compound (1 g, 14%) as a brown solid. LCMS (M+H+) m/z: calcd. 383.07. found 384.9.

후처리

  1. customThe resulting reaction system
  2. temperaturewas warm
  3. temperatureto reflux
  4. concentrationThe reaction mixture was concentrated
  5. custompurified by column
  6. customchromatographed on silica gel (eluted: dichloromethane/methanol 50:1→20:1→5:1) the title compound (1 g, 14%) as a brown solid

출처 및 근거

ORD 기록
ord-9cf8e57c4e0c419c9c3babe12dfe25d4
출처 데이터셋
uspto-grants-2016_06
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09371331B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트