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Ethyl Acetate → HCID 67326976, 화합물

HRID 881784
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HRID 881784 반응식
[CH:1]([CH:3]([C:10]#[N:11])[C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1)=[CH2:2].[C:12]1([N:18]([C:27]2[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=2)[C:19]2[CH:26]=[CH:25]C(C=O)=[CH:21][CH:20]=2)[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1.N1CC[CH2:35][CH2:34]1.CC(=O)OCC>CO>[C:27]1([N:18]([C:12]2[CH:13]=[CH:14][CH:15]=[CH:16][CH:17]=2)[C:19]2[CH:26]=[CH:25][C:2](/[CH:1]=[C:3](/[C:4]3[CH:9]=[CH:8][C:7]([CH:34]=[CH2:35])=[CH:6][CH:5]=3)\[C:10]#[N:11])=[CH:21][CH:20]=2)[CH:28]=[CH:29][CH:30]=[CH:31][CH:32]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 8857Ethyl AcetateHCID 31268PyrrolidineHCID 77846Benzaldehyde, 4-(diphenylamino)-HCID 147675092-Phenylbut-3-enenitrile2회

생성물 1

HCID 67326976HCID 67326976, 화합물수율 24.4%

시약·촉매·용매 1

HCID 887Methanol용매

실험 절차

Vinyl benzylcyanide (2.2 g, 0.0154 mol) was dissolved in methanol (10 mL) and 4-(diphenylamino)benzaldehyde (1 ME, 0.0154 mol, 4.2 g) was added, followed by the addition of pyrrolidine (1.5 ME, 0.0231 mol, 1.64 g, 1.9 mL). The resulting reaction mixture was heated at reflux overnight under argon. TLC analysis on the mixture (H:EA, 8.5:1.5) showed the formation of a yellow coloured product along with some unreacted vinyl benzylcyanide. The reaction mixture was purified by column chromatography (hexane:ethyl acetate, 8.5:1.5). After chromatography, the pure product, AG1-78, was obtained as a yellow colloured brightly fluorescent material solid (1.5 g, 23%), 1H NMR (400 MHz, CDCl3) δ 5.3 (d, 1H, ethylene —CH), δ5.8 (d, 1H, ethylene-CH), δ 6.7 (m, 1H), δ 7.1 (m, 8H), δ 7.3 (m, 4H), δ 7.45 (m, 3H), δ 7.6 (dd, 2H), δ 7.7 (dd, 2H), 13C NMR (CDCl3, ppm, δ): 149.94, 146.60, 141.18, 137.85, 135.97, 134.34, 130.66, 129.56, 126.75, 126.44, 125.78, 125.70, 124.37, 120.89, 118.66, 114.81, 107.38.

후처리

  1. customThe resulting reaction mixture
  2. temperaturewas heated
  3. temperatureat reflux overnight under argon
  4. customThe reaction mixture was purified by column chromatography (hexane:ethyl acetate, 8.5:1.5)

출처 및 근거

ORD 기록
ord-34539d98f7d04fe3875c1de363b11c67
출처 데이터셋
uspto-grants-2015_03
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08993697B2

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