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

Cyanamide → 2-(4-{[3-Chloro-5-(trifluoromethyl)phenyl]oxy}phenyl)ethyl imidocarbamate

HRID 705917
노트
인쇄 미리보기

반응식

HRID 705917 반응식
[Cl:1][C:2]1[CH:3]=[C:4]([O:12][C:13]2[CH:18]=[CH:17][C:16]([CH2:19][CH2:20][OH:21])=[CH:15][CH:14]=2)[CH:5]=[C:6]([C:8]([F:11])([F:10])[F:9])[CH:7]=1.[N:22]#[C:23][NH2:24].OS(C(F)(F)F)(=O)=O>C1COCC1>[C:23](=[NH:22])([O:21][CH2:20][CH2:19][C:16]1[CH:17]=[CH:18][C:13]([O:12][C:4]2[CH:5]=[C:6]([C:8]([F:11])([F:10])[F:9])[CH:7]=[C:2]([Cl:1])[CH:3]=2)=[CH:14][CH:15]=1)[NH2:24]
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 9864CyanamideHCID 62406Trifluoromethanesulfonic acidHCID 677727742-(4-{[3-Chloro-5-(trifluoromethyl)phenyl]oxy}phenyl)ethanol

생성물 1

HCID 677757672-(4-{[3-Chloro-5-(trifluoromethyl)phenyl]oxy}phenyl)ethyl imidocarbamate수율 70.5%

시약·촉매·용매 1

HCID 8028Tetrahydrofuran용매

반응 조건

온도
55 °C

실험 절차

To a solution of 2-(4-{[3-chloro-5-(trifluoromethyl)phenyl]oxy}phenyl)ethanol (2 g, 6.32 mmol) and cyanamide (0.4 g, 9.51 mmol) in dry THF (20 mL) under nitrogen was added triflic acid (0.8 mL, 9.01 mmol). The mixture was heated at 55° C. for 4 h. Purification via reverse phase flash chromatography afforded the title compound (2.1 g, 4.45 mmol, 70.5% yield) as a brown oil. LCMS: rt=2.95 min, [M+H+]=359

후처리

  1. customPurification via reverse phase flash chromatography

출처 및 근거

ORD 기록
ord-cbaf9b859bf2408583c8c316b0156ed4
출처 데이터셋
uspto-grants-2015_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09174968B2

반응 노트

불러오는 중…

이 페이지에서참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트