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

Sodium Carbonate → N-(1,2,3,4-Tetrahydroisoquinoline-7-sulphonyl)-3-cyano-(S)-phenylalanine ethyl ester

HRID 343323
노트
인쇄 미리보기

반응식

HRID 343323 반응식
C(=O)([O-])[O-].[Na+].[Na+].[CH2:7]([O:9][C:10](=[O:41])[C@H:11]([CH2:32][C:33]1[CH:38]=[CH:37][CH:36]=[C:35]([C:39]#[N:40])[CH:34]=1)[NH:12][S:13]([C:16]1[CH:25]=[C:24]2[C:19]([CH2:20][CH2:21][N:22](C(=O)C(F)(F)F)[CH2:23]2)=[CH:18][CH:17]=1)(=[O:15])=[O:14])[CH3:8]>O.C(O)C>[CH2:7]([O:9][C:10](=[O:41])[C@H:11]([CH2:32][C:33]1[CH:38]=[CH:37][CH:36]=[C:35]([C:39]#[N:40])[CH:34]=1)[NH:12][S:13]([C:16]1[CH:25]=[C:24]2[C:19]([CH2:20][CH2:21][NH:22][CH2:23]2)=[CH:18][CH:17]=1)(=[O:14])=[O:15])[CH3:8]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 2

HCID 10340Sodium CarbonateHCID 54332895N-(2-trifluoroacetyl-1,2,3,4-tetrahydroisoquinoline-7-sulphonyl)-3-cyano-(S)-phenylalanine ethyl ester

생성물 1

HCID 54386742N-(1,2,3,4-Tetrahydroisoquinoline-7-sulphonyl)-3-cyano-(S)-phenylalanine ethyl ester수율 68.5%

시약·촉매·용매 2

HCID 702Ethanol용매HCID 962Water
용매

실험 절차

A solution of sodium carbonate (11.5 g, 108.5 mmol) in water (115 ml) was added to a stirred solution of N-(2-trifluoroacetyl-1,2,3,4-tetrahydroisoquinoline-7-sulphonyl)-3-cyano-(S)-phenylalanine ethyl ester (Preparation 21; 11.5 g, 22.6 mmol) in ethanol (115 ml) and the resulting mixture stirred for 3 hours at room temperature. The bulk of the ethanol was then removed under reduced pressure, water added and the resulting suspension extracted with dichloromethane. The organic extract was washed with saturated brine, dried (MgSO4) and evaporated under reduced pressure, then the residue dissolved in the minimum volume of dichloromethane. Dilution of this solution with ethanol, followed by concentration and overnight standing of the mixture, provided the title compound as a white solid (6.4 g), after filtration and washing with ether. Rf 0.26 (SS 6). m/e 414 (M+H)+.

후처리

  1. customThe bulk of the ethanol was then removed under reduced pressure, water
  2. additionadded
  3. extractionthe resulting suspension extracted with dichloromethane
  4. extractionThe organic extract
  5. washwas washed with saturated brine
  6. dry with materialdried (MgSO4)
  7. customevaporated under reduced pressure
  8. dissolutionthe residue dissolved in the minimum volume of dichloromethane
  9. concentrationDilution of this solution with ethanol, followed by concentration and overnight

출처 및 근거

ORD 기록
ord-3c01df0bbd594654a9ed0ae3908e9deb
출처 데이터셋
uspto-grants-1999_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US05861393

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트