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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
ノート
印刷プレビュー

反応式

HRID 2192495 の反応式
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]
参加物反応条件実験手順後処理出典と根拠反応ノート

参加物

6

反応物 4

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

生成物 1

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

試薬・触媒・溶媒

1
HCID 6228Dimethylformamide溶媒

反応条件

温度
140 °C

実験手順

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).

後処理

  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

出典と根拠

ORDレコード
ord-43d1fbcebbb647c5901c5e74010cda9c
出典データセット
uspto-grants-2012_12
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08329730B2

反応ノート

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このページの内容参加物反応条件実験手順後処理出典と根拠反応ノート