1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride → (+/-)-(5-Nitro-2,4,6,7-tetramethyldihydrobenzofuran-2-yl)-[4-(4-imidazol-1-ylphenyl)-piperazin-1-yl]carboxamide

HRID 1987759노트

반응식

HRID 1987759 반응식
[N:1]1([C:6]2[CH:11]=[CH:10][C:9]([N:12]3[CH2:17][CH2:16][NH:15][CH2:14][CH2:13]3)=[CH:8][CH:7]=2)[CH:5]=[CH:4][N:3]=[CH:2]1.C[C:19]1([C:34](O)=O)[CH2:23][CH:22]2[CH:24]([CH3:33])[C:25]([N+:30]([O-:32])=[O:31])=[C:26]([CH3:29])[C:27]([CH3:28])=[C:21]2[O:20]1.Cl.C[N:39]([CH3:48])CCCN=C=NCC.Cl.[OH:50]N1C2C=CC=CC=2N=N1>O.C(N(CC)CC)C>[N+:30]([C:25]1[CH:24]([CH3:33])[CH:22]2[CH2:23][C:19]([NH:39][C:48]([N:15]3[CH2:16][CH2:17][N:12]([C:9]4[CH:8]=[CH:7][C:6]([N:1]5[CH:5]=[CH:4][N:3]=[CH:2]5)=[CH:11][CH:10]=4)[CH2:13][CH2:14]3)=[O:50])([CH3:34])[O:20][C:21]2=[C:27]([CH3:28])[C:26]=1[CH3:29])([O-:32])=[O:31]

참가 물질

7

반응물 4

HCID 27239391,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochlorideHCID 22729017HOBT hydrochlorideHCID 231182901-(4-(1H-imidazol-1-yl)phenyl)piperazineHCID 688444542,4,6,7-Tetramethyl-5-nitrodihydrobenzofuran-2-carboxylic acid

생성물 1

HCID 68849562(+/-)-(5-Nitro-2,4,6,7-tetramethyldihydrobenzofuran-2-yl)-[4-(4-imidazol-1-ylphenyl)-piperazin-1-yl]carboxamide수율 98.9%

시약·촉매·용매 2

HCID 962Water용매HCID 8471Triethylamine용매

실험 절차

To 0.43 g of 1-(4-imidazol-1-ylphenyl)-piperazine and 0.5 g of 2,4,6,7-tetramethyl-5-nitrodihydrobenzofuran-2-carboxylic acid, 0.44 g of 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride, 0.31 g of 1-hydroxybenzotriazole hydrochloride and 0.23 g of triethylamine were added, followed by stirring at room temperature for 24 hours. The reaction solution was poured into water and the precipitated crystal was removed by filtration and washed with water and ether, and then the resulting crystal was dried to obtain 0.88 g of the objective compound.

후처리

  1. customthe precipitated crystal was removed by filtration
  2. washwashed with water and ether
  3. customthe resulting crystal was dried

출처 및 근거

ORD 기록
ord-7611fe4541e44aacb4103cfbf8a325b6
출처 데이터셋
uspto-grants-2009_06
특허 번호
US07553837B2

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