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

Ethyl isocyanate → (3S)-3-{[4-(4-bromo-2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-N-ethyl-1-pyrrolidinecarboxamide

HRID 525255
노트
인쇄 미리보기

반응식

HRID 525255 반응식
Cl.[Br:2][C:3]1[CH:8]=[CH:7][C:6]([N:9]2[C:13]([CH2:14][C@@H:15]3[CH2:19][CH2:18][NH:17][CH2:16]3)=[N:12][NH:11][C:10]2=[O:20])=[C:5]([F:21])[CH:4]=1.O1CCCC1.C(N(CC)CC)C.[CH2:34]([N:36]=[C:37]=[O:38])[CH3:35]>O.ClCCl>[Br:2][C:3]1[CH:8]=[CH:7][C:6]([N:9]2[C:10](=[O:20])[NH:11][N:12]=[C:13]2[CH2:14][C@@H:15]2[CH2:19][CH2:18][N:17]([C:37]([NH:36][CH2:34][CH3:35])=[O:38])[CH2:16]2)=[C:5]([F:21])[CH:4]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 4

HCID 8022Ethyl isocyanateHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 673755214-(4-bromo-2-fluorophenyl)-5-[(3S)-3-pyrrolidinylmethyl]-2,4-dihydro-3H-1,2,4-triazol-3-one hydrochloride

생성물 1

HCID 67376184(3S)-3-{[4-(4-bromo-2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-N-ethyl-1-pyrrolidinecarboxamide

시약·촉매·용매 2

HCID 962Water용매
HCID 6344Dichloromethane용매

실험 절차

Into a 4 mL vial was placed 4-(4-bromo-2-fluorophenyl)-5-[(3S)-3-pyrrolidinylmethyl]-2,4-dihydro-3H-1,2,4-triazol-3-one hydrochloride (0.212 mmol) and tetrahydrofuran (2 mL). In succession was added triethylamine (0.717 mmol) and ethyl isocyanate (0.253 mmol). The vial was capped and the solution stirred at room temperature for 1 h. The solution was poured into a 10 mL solution of 1:1 dichloromethane:water. The solution was shaken and allowed to settle. The organic layer was separated, dried over sodium sulfate, filtered, and concentrated in vacuo. No further purification was performed on the title compound (74 mg, 68%). MS(ES)+ m/e 412.2, 414.1 [M+H]′.

후처리

  1. customThe vial was capped
  2. stirringThe solution was shaken
  3. customThe organic layer was separated
  4. dry with materialdried over sodium sulfate
  5. filtrationfiltered
  6. concentrationconcentrated in vacuo
  7. customNo further purification

출처 및 근거

ORD 기록
ord-6f6806dd491045a288e732bc61cbcd23
출처 데이터셋
uspto-grants-2016_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09340529B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트