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

5-[(4-Fluorophenyl)methyl]-4H-1,2,4-triazole-3,4-diamine → Diethyl-{2-[3-(4-fluoro-benzyl)-5,8-dimethyl-9H-1,2,3a,4,9,10-hexaaza-cyclopenta[b]fluoren-6-yl]-ethyl}-amine hydrochloride

HRID 1822912
노트
인쇄 미리보기

반응식

HRID 1822912 반응식
[ClH:1].C(N([CH:7]([C:9]1[C:10]([CH3:21])=[C:11]2[C:15](=[C:16]([CH3:18])[CH:17]=1)[NH:14][C:13](=O)[C:12]2=O)[CH3:8])CC)C.[F:22][C:23]1[CH:36]=[CH:35][C:26]([CH2:27][C:28]2[N:29]([NH2:34])[C:30]([NH2:33])=[N:31][N:32]=2)=[CH:25][CH:24]=1>C(O)CO.O.C(NCC)C>[ClH:1].[CH2:13]([N:14]([CH2:15][CH3:11])[CH2:8][CH2:7][C:9]1[C:10]([CH3:21])=[C:11]2[C:15](=[C:16]([CH3:18])[CH:17]=1)[NH:14][C:13]1[C:12]2=[N:34][N:29]2[C:28]([CH2:27][C:26]3[CH:35]=[CH:36][C:23]([F:22])=[CH:24][CH:25]=3)=[N:32][N:31]=[C:30]2[N:33]=1)[CH3:12]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 2

HCID 219193225-[(4-Fluorophenyl)methyl]-4H-1,2,4-triazole-3,4-diamineHCID 695972035-(N,N-diethylamino-2-ethyl)-4,7-dimethyl-1H-indole-2,3-dione hydrochloride

생성물 1

HCID 135788272Diethyl-{2-[3-(4-fluoro-benzyl)-5,8-dimethyl-9H-1,2,3a,4,9,10-hexaaza-cyclopenta[b]fluoren-6-yl]-ethyl}-amine hydrochloride

시약·촉매·용매 3

HCID 174Ethylene Glycol용매HCID 962
Water
용매
HCID 8021Diethylamine용매

실험 절차

0.60 mmol of 5-(N,N-diethylamino-2-ethyl)-4,7-dimethyl-1H-indole-2,3-dione hydrochloride (186.5 mg) and 0.70 mmol of (4-fluoro-benzyl)-[1,2,4]triazole-3,4-diamine (145 mg) in 1.5 mL of ethylene glycol was stirred at 125° C. for 1 day. The mixture was cooled to room temperature, diluted with water (5 mL), and neat diethylamine 0.5 mL was added. Stirred for 3 hours, the precipitate was collected by filtration, washed with water and dried on highvac. The obtained free base was suspended in water (10 mL), 2M HCl 0.5 mL was added, heated to boil, sonicated briefly while hot and then allowed to crystallize in a refrigerator (+5° C.) overnight. The precipitate was collected by filtration, washed with ice-cold water (2×1 mL) and dried on high vacuum.

후처리

  1. additionwas added
  2. filtrationthe precipitate was collected by filtration
  3. washwashed with water
  4. customdried on highvac
  5. addition2M HCl 0.5 mL was added
  6. temperatureheated
  7. customsonicated briefly while hot and
  8. customto crystallize in a refrigerator (+5° C.) overnight
  9. filtrationThe precipitate was collected by filtration
  10. washwashed with ice-cold water (2×1 mL)
  11. customdried on high vacuum

출처 및 근거

ORD 기록
ord-745b65eade0c4455b130bc24b587b23e
출처 데이터셋
uspto-grants-2006_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07037909B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트