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1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride → 5-[5-[3-Chloro-4-(1-methylethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-1(2H)-isoquinolinone

HRID 2192495
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인쇄 미리보기

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HRID 2192495 반응식
Cl.C(N=C=NCCCN(C)C)C.OC1C2N=NNC=2C=CC=1.[Cl:23][C:24]1[CH:25]=[C:26]([CH:30]=[CH:31][C:32]=1[O:33][CH:34]([CH3:36])[CH3:35])[C:27]([OH:29])=O.O[NH:38][C:39]([C:41]1[C:42]2[CH:43]=[CH:44][NH:45][C:46](=[O:51])[C:47]=2[CH:48]=[CH:49][CH:50]=1)=[NH:40]>CN(C=O)C>[Cl:23][C:24]1[CH:25]=[C:26]([C:27]2[O:29][N:40]=[C:39]([C:41]3[CH:50]=[CH:49][CH:48]=[C:47]4[C:42]=3[CH:43]=[CH:44][NH:45][C:46]4=[O:51])[N:38]=2)[CH:30]=[CH:31][C:32]=1[O:33][CH:34]([CH3:36])[CH3:35]
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 27239391,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochlorideHCID 225977283-Chloro-4-(propan-2-yloxy)benzoic acidHCID 178418300HCID 178418300, 화합물HCID 178513275HCID 178513275, 화합물

생성물 1

HCID 581499065-[5-[3-Chloro-4-(1-methylethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-1(2H)-isoquinolinone수율 50.4%

시약·촉매·용매

1
HCID 6228Dimethylformamide용매

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온도
140 °C

실험 절차

1-Ethyl-3-(3-dimethylaminopropyl) carbodiimide hydrochloride (EDCI; 5.2 g) and hydroxybenzotriazole (HOBt; 3.6 g) were added to a solution of 3-chloro-4-[(1-methylethyl)oxy]benzoic acid (D3; 2.9 g) in DMF (200 ml) at room temperature, and the resulting solution was stirred for 30 minutes. N-hydroxy-1-oxo-1,2-dihydro-5-isoquinolinecarboximidamide (D37, 2.75 g) was added and the suspension was stirred at room temperature for 2 hours. The reaction mixture was heated to 140° C. and stirred for 1 hour. The solvent was evaporated and the residue was washed with water, followed by ethyl acetate to give the title compound (2.6 g).

후처리

  1. stirringthe suspension was stirred at room temperature for 2 hours
  2. stirringstirred for 1 hour
  3. customThe solvent was evaporated
  4. washthe residue was washed with water

출처 및 근거

ORD 기록
ord-43d1fbcebbb647c5901c5e74010cda9c
출처 데이터셋
uspto-grants-2012_12
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08329730B2

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