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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Propargyl alcohol → 1H,7H-Pyrido[1,2,3-de]quinoxaline-6-carboxamide, N-[(4-chlorophenyl)methyl]-2,3-dihydro-9-(3-hydroxy-1-propynyl)-1-methyl-2,7-dioxo-

HRID 1168519
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HRID 1168519 반응식
[CH2:1]([OH:4])[C:2]#[CH:3].[Cl:5][C:6]1[CH:32]=[CH:31][C:9]([CH2:10][NH:11][C:12]([C:14]2[C:15](=[O:30])[C:16]3[C:17]4[N:18]([CH:29]=2)[CH2:19][C:20](=[O:28])[N:21]([CH3:27])[C:22]=4[CH:23]=[C:24](I)[CH:25]=3)=[O:13])=[CH:8][CH:7]=1>C(NCC)C.Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1>[Cl:5][C:6]1[CH:32]=[CH:31][C:9]([CH2:10][NH:11][C:12]([C:14]2[C:15](=[O:30])[C:16]3[C:17]4[N:18]([CH:29]=2)[CH2:19][C:20](=[O:28])[N:21]([CH3:27])[C:22]=4[CH:23]=[C:24]([C:3]#[C:2][CH2:1][OH:4])[CH:25]=3)=[O:13])=[CH:8][CH:7]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 2

HCID 7859Propargyl alcoholHCID 12083044N-(4-Chlorobenzyl)-9-iodo-1-methyl-2,7-dioxo-2,3-dihydro-1H,7H-pyrido[1,2,3-de]-quinoxaline-6-carboxamide

생성물 1

HCID 101138641H,7H-Pyrido[1,2,3-de]quinoxaline-6-carboxamide, N-[(4-chlorophenyl)methyl]-2,3-dihydro-9-(3-hydroxy-1-propynyl)-1-methyl-2,7-dioxo-

시약·촉매·용매 2

HCID 178418476HCID 178418476, 화합물촉매
HCID 8021
Diethylamine
용매

실험 절차

Propargyl alcohol (50 mg), cuprous iodide (50 mg) and a solution of PdCl2(PPh3)2 (1 mL, 0.15 M in THF) are added to a suspension of N-(4-chlorobenzyl)-9-iodo-1-methyl-2,7-dioxo-2,3-dihydro-1H,7H-pyrido[1,2,3-de]quinoxaline-6-carboxamide (Preparation 23, 250 mg) in diethylamine (2.0 mL). The reaction is stirred for 90 min and the product is then extracted into chloroform and is chromatographed on silica gel. The desired product is eluted with 20% methanol/chloroform. Physical characteristics: 1H NMR (DMSO-d6) δ3.40, 4.36, 4.56, 5.22, 5.42, 7.36, 7.40, 7.44, 7.88, 8.76, 10.2. HRMS m/z 436.1064 (C23H18ClN3O4).

후처리

  1. extractionthe product is then extracted into chloroform
  2. customis chromatographed on silica gel
  3. washThe desired product is eluted with 20% methanol/chloroform

출처 및 근거

ORD 기록
ord-ec798d0535ed427381cf794d6c54af8a
출처 데이터셋
uspto-grants-2003_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06624159B2

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