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Isopropanol → 5,5-Dimethyl-1-(2-((4-(3-phenyl-2-thienyl)-2-pyrimidinyl)amino)ethyl)-2,4-imidazolidinedione

HRID 507624
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인쇄 미리보기

반응식

HRID 507624 반응식
CN(C)[CH:3]=[CH:4][C:5]([C:7]1[S:8][CH:9]=[CH:10][C:11]=1[C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1)=O.Cl.[CH3:20][C:21]1([CH3:34])[N:25]([CH2:26][CH2:27][NH:28][C:29]([NH2:31])=[NH:30])[C:24](=[O:32])[NH:23][C:22]1=[O:33].[OH-].[Na+].CC(O)C>ClCCl.O>[CH3:20][C:21]1([CH3:34])[N:25]([CH2:26][CH2:27][NH:28][C:29]2[N:31]=[C:5]([C:7]3[S:8][CH:9]=[CH:10][C:11]=3[C:12]3[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=3)[CH:4]=[CH:3][N:30]=2)[C:24](=[O:32])[NH:23][C:22]1=[O:33]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 4

HCID 3776IsopropanolHCID 14798Sodium HydroxideHCID 684650323-(Dimethylamino)-1-(3-phenylthiophen-2-yl)prop-2-en-1-oneHCID 1784294231-(2-(5,5-Dimethyl-2,4-dioxoimidazolidin-1-yl)ethyl)guanidine hydrochloride

생성물 1

HCID 602045225,5-Dimethyl-1-(2-((4-(3-phenyl-2-thienyl)-2-pyrimidinyl)amino)ethyl)-2,4-imidazolidinedione수율 33%

시약·촉매·용매

2
HCID 962Water용매HCID 6344Dichloromethane용매

실험 절차

A flask charged with 3-(dimethylamino)-1-(3-phenylthiophen-2-yl)prop-2-en-1-one (52 mg, 0.20 mmol), 1-(2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)ethyl)guanidine hydrochloride (100 mg, 0.40 mmol) and sodium hydroxide (40 mg, 1.0 mmol) and IPA (3.0 mL) was heated to reflux under nitrogen. After 18 h, the reaction mixture was allowed to cool and then diluted with dichloromethane and water. The organic layer was separated and washed with one portion of water and two portions of brine. The organics were then concentrated and the residue purified by preparative TLC eluted with 3% MeOH/dichloromethane to afford the product (27 mg, 0.066 mmol, 33% yield). MS (M+H)+ 408.

후처리

  1. temperaturewas heated
  2. temperatureto reflux under nitrogen
  3. temperatureto cool
  4. customThe organic layer was separated
  5. washwashed with one portion of water and two portions of brine
  6. concentrationThe organics were then concentrated
  7. customthe residue purified by preparative TLC
  8. washeluted with 3% MeOH/dichloromethane

출처 및 근거

ORD 기록
ord-e2ef4eff7167431ea08c9f13aa5cbe08
출처 데이터셋
uspto-grants-2010_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07786132B2

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