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1,2-Dichloroethane → (S)-tert-butyl 1-(benzyl(but-3-enyl)amino)-1-oxopent-4-en-2-ylcarbamate

HRID 529507
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HRID 529507 반응식
[C:1]([O:5][C:6]([NH:8][C@@H:9]([CH2:13][CH:14]=[CH2:15])[C:10]([OH:12])=O)=[O:7])([CH3:4])([CH3:3])[CH3:2].[CH2:16]([NH:23][CH2:24][CH2:25][CH:26]=[CH2:27])[C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1.C(Cl)CCl.C1C=CC2N(O)N=NC=2C=1>CN(C=O)C.CCOC(C)=O>[CH2:16]([N:23]([CH2:24][CH2:25][CH:26]=[CH2:27])[C:10](=[O:12])[C@@H:9]([NH:8][C:6](=[O:7])[O:5][C:1]([CH3:2])([CH3:3])[CH3:4])[CH2:13][CH:14]=[CH2:15])[C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1
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참가 물질

7

반응물 4

HCID 111,2-DichloroethaneHCID 757711-HydroxybenzotriazoleHCID 2734487(2S)-2-(((tert-butoxy)carbonyl)amino)pent-4-enoic acidHCID 4366091N-Benzylbut-3-en-1-amine

생성물 1

HCID 68311224(S)-tert-butyl 1-(benzyl(but-3-enyl)amino)-1-oxopent-4-en-2-ylcarbamate수율 40.5%

시약·촉매·용매 2

HCID 6228
Dimethylformamide
용매
HCID 8857Ethyl Acetate용매

실험 절차

To a solution of (S)-2-(tert-butoxycarbonylamino)pent-4-enoic acid (400 mg, 1.86 mmol), N-benzylbut-3-en-1-amine (449 mg, 2.79 mmol) in DMF (5 mL) was added EDC (410 mg, 2.14 mmol), HOBt (370 mg, 2.42 mmol) and followed by TEA (0.259 mL, 1.858 mmol). The reaction was stirred at rt for 3 days. The reaction was diluted with EtOAc and washed with water (2×), 1 M aqueous KHSO4 (2×), saturated aqueous NaHCO3 (2×) and saturated aqueous NaCl. The organic layer was separated, dried over Na2SO4, filtered and concentrated. The crude product was purified using silica gel chromatography (ISCO system) eluting with a gradient of 0-60% EtOAc/Hex to give (S)-tert-butyl 1-(benzyl(but-3-enyl)amino)-1-oxopent-4-en-2-ylcarbamate (270 mg, 0.753 mmol, 40.5% yield). Anal. Calcd. for C21H30N2O3 m/z 358.4. found: 359.1 (M+H)+; 1H NMR (400 MHz, CDCl3) δ ppm 7.43-7.13 (m, 5H), 5.85-5.62 (m, 2H), 5.40-5.27 (m, 1H), 5.19-4.97 (m, 3H), 4.87 and 4.37 (d, J=14.9 Hz, 1H), 4.76-4.51 (m, 2H), 3.59-3.22 (m, 3H), 2.39 (ddq, J=25.6, 21.3, 7.1 Hz, 4H), 1.44 and 1.42 (s, 9H).

후처리

  1. washwashed with water (2×), 1 M aqueous KHSO4 (2×), saturated aqueous NaHCO3 (2×) and saturated aqueous NaCl
  2. customThe organic layer was separated
  3. dry with materialdried over Na2SO4
  4. filtrationfiltered
  5. concentrationconcentrated
  6. customThe crude product was purified
  7. washeluting with a gradient of 0-60% EtOAc/Hex

출처 및 근거

ORD 기록
ord-0783fced73ec4f928c9d67ed1fbaa113
출처 데이터셋
uspto-grants-2016_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09346852B2

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