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Phenethyl isocyanate → methyl (Z)-3-[2-butoxy-3'-(1-methyl-3-phenethylureido)biphenyl-4-yl]-2-ethoxyacrylate

HRID 390633
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HRID 390633 반응식
[CH2:1]([O:5][C:6]1[CH:11]=[C:10](/[CH:12]=[C:13](\[O:18][CH2:19][CH3:20])/[C:14]([O:16][CH3:17])=[O:15])[CH:9]=[CH:8][C:7]=1[C:21]1[CH:26]=[CH:25][CH:24]=[C:23]([NH:27][CH3:28])[CH:22]=1)[CH2:2][CH2:3][CH3:4].[CH2:29]([N:37]=[C:38]=[O:39])[CH2:30][C:31]1[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=1>>[CH2:1]([O:5][C:6]1[CH:11]=[C:10](/[CH:12]=[C:13](\[O:18][CH2:19][CH3:20])/[C:14]([O:16][CH3:17])=[O:15])[CH:9]=[CH:8][C:7]=1[C:21]1[CH:26]=[CH:25][CH:24]=[C:23]([N:27]([CH3:28])[C:38]([NH:37][CH2:29][CH2:30][C:31]2[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=2)=[O:39])[CH:22]=1)[CH2:2][CH2:3][CH3:4]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

3

반응물 2

HCID 160602Phenethyl isocyanateHCID 86626091methyl (Z)-3-(2-butoxy-3'-methylaminobiphenyl-4-yl)-2-ethoxyacrylate

생성물 1

HCID 86626092methyl (Z)-3-[2-butoxy-3'-(1-methyl-3-phenethylureido)biphenyl-4-yl]-2-ethoxyacrylate수율 75.4%

실험 절차

40 mg (0.1 mmol) of methyl (Z)-3-(2-butoxy-3′-methylaminobiphenyl-4-yl)-2-ethoxyacrylate and 16 mg (0.11 mmol) phenethyl isocyanate are heated at 85° C. by microwave in an Emrys Optimizer machine for 20 minutes. The residue obtained is purified by chromatography on a column of silica eluted with a 95/5 and then 90/10 heptane/ethyl acetate mixture. 40 mg (72%) of methyl (Z)-3-[2-butoxy-3′-(1-methyl-3-phenethylureido)biphenyl-4-yl]-2-ethoxyacrylate are obtained.

후처리

custom
The residue obtained
  • customis purified by chromatography on a column of silica
  • washeluted with a 95/5
  • 출처 및 근거

    ORD 기록
    ord-658eb63e616e486d97fc242f9f5c165e
    출처 데이터셋
    uspto-grants-2013_02
    DOI
    10.6084/m9.figshare.5104873.v1
    특허 번호
    US08383652B2

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