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

Trifluoroacetic acid → 5-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(2-(isopropylamino)-2-oxoethyl)-2-nitrobenzamide

HRID 77377
노트
인쇄 미리보기

반응식

HRID 77377 반응식
FC(F)(F)C(O)=O.[CH:8]([NH:11][C:12](=[O:40])[CH2:13][NH:14][C:15]([C:17]1[CH:18]=[C:19]([N:26]2[CH2:31][C@@H:30]3[CH2:32][C@H:27]2[CH2:28][N:29]3C(OC(C)(C)C)=O)[CH:20]=[CH:21][C:22]=1[N+:23]([O-:25])=[O:24])=[O:16])([CH3:10])[CH3:9]>ClCCl>[C@H:27]12[CH2:32][C@H:30]([NH:29][CH2:28]1)[CH2:31][N:26]2[C:19]1[CH:20]=[CH:21][C:22]([N+:23]([O-:25])=[O:24])=[C:17]([CH:18]=1)[C:15]([NH:14][CH2:13][C:12]([NH:11][CH:8]([CH3:10])[CH3:9])=[O:40])=[O:16]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

4

반응물 2

HCID 6422Trifluoroacetic acidHCID 68160578(1S,4S)-tert-butyl 5-(3-(2-(isopropylamino)-2-oxoethylcarbamoyl)-4-nitrophenyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate2회

생성물 1

HCID 671150475-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(2-(isopropylamino)-2-oxoethyl)-2-nitrobenzamide수율 83.7%

시약·촉매·용매 1

HCID 6344Dichloromethane용매

실험 절차

2,2,2-Trifluoroacetic acid (4.6 g, 39.5 mmol) was added to a solution of (1S,4S)-tert-butyl 5-(3-(2-(isopropylamino)-2-oxoethylcarbamoyl)-4-nitrophenyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate (Intermediate 5A) (1.5 g, 3.25 mmol) in dichloromethane (15 mL). The resulting solution was stirred overnight. The resultant crude material was purified using a 20 g SCX cartridge to afford 5-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(2-(isopropylamino)-2-oxoethyl)-2-nitrobenzamide (984 mg, 2.72 mmol).

후처리

  1. customThe resultant crude material was purified

출처 및 근거

ORD 기록
ord-ab2ebee1e9304a429da32af9854b5830
출처 데이터셋
uspto-grants-2014_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08841289B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트