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Triethylamine → 3-(4-Ethoxy-2-oxocyclohex-3-enyl)propyl-7-methoxy-2-oxo-2h-chromen-3-ylcarbamate

HRID 449751
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HRID 449751 반응식
[CH3:1][O:2][C:3]1[CH:12]=[C:11]2[C:6]([CH:7]=[C:8](C(O)=O)[C:9](=[O:13])[O:10]2)=[CH:5][CH:4]=1.CC[N:19]([CH2:22]C)CC.C1C=CC(P(N=[N+]=[N-])(C2C=CC=CC=2)=[O:31])=CC=1.[CH2:41]([O:43][C:44]1[CH2:49][CH2:48][CH:47]([CH2:50][CH2:51][CH2:52][OH:53])[C:46](=[O:54])[CH:45]=1)[CH3:42]>C1C=CC=CC=1.O>[CH2:41]([O:43][C:44]1[CH2:49][CH2:48][CH:47]([CH2:50][CH2:51][CH2:52][O:53][C:22](=[O:31])[NH:19][C:8]2[C:9](=[O:13])[O:10][C:11]3[C:6]([CH:7]=2)=[CH:5][CH:4]=[C:3]([O:2][CH3:1])[CH:12]=3)[C:46](=[O:54])[CH:45]=1)[CH3:42]
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참가 물질

7

반응물 4

HCID 8471TriethylamineHCID 199401P,P-Diphenylphosphinic azideHCID 5839417-Methoxycoumarin-3-carboxylic AcidHCID 252417513-Ethoxy-6-(3-hydroxypropyl)cyclohex-2-enone

생성물 1

HCID 589993283-(4-Ethoxy-2-oxocyclohex-3-enyl)propyl-7-methoxy-2-oxo-2h-chromen-3-ylcarbamate수율 50%

시약·촉매·용매 2

HCID 241
Benzene
용매
2회
HCID 962Water용매

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온도
65 °C

실험 절차

A solution of 7-methoxy-3-carboxycoumarin (335 mg, 1.5 mmol), NEt3 (1.05 mL, 7.6 mmol) and DPPA (0.36 mL, 1.7 mmol) in benzene (15 mL) was stirred at 65° C. for 4 h. A solution of 3 (260 mg, 1.3 mmol) in benzene (2 mL) was then added and the mixture stirred at 65° C. for 16 h. Upon cooling, water (40 mL) was added and the mixture extracted with DCM (3×40 mL). The combined organic phases were washed with sat. NaHCO3 (30 mL), brine (30 mL), dried over anhydrous MgSO4 and reduced to dryness. The resultant solid was purified by flash column chromatography (×2, gradient elution with DCM/EtOAC (8/2) to DCM/EtOAc/MeOH (8/1/1), and then DCM/MeOH (9/1)) to yield 5 as an off-white solid (270 mg, 49.5%). Rf 0.63 (hexanes/EtOAc 1/2); Mp. 131-134° C.; 1H NMR (300 MHz, CDCl3) δ 8.22 (1H, s), 7.34 (2H, m), 6.84 (1H, dd, J=8.6 Hz, 2.4 Hz), 6.79 (1H, d, J=2.4 Hz), 5.29 (1H, s), 4.18 (2H, t, J=6.3 Hz), 3.85 (2H, 2q, J=7.0 Hz), 3.82 (3H, s), 2.42 (2H, 2d, J=7.1 Hz), 2.22 (1H, m), 2.08 (1H, dq, J=14.2 Hz, 5.0 Hz), 1.94-1.85 (1H, m), 1.78-1.66 (3H, m), 1.52-1.42 (1H, m), 1.33 (3H, t, J=7.0 Hz); 13C NMR (75 MHz, CDCl3) δ 201.0, 176.9, 161.1, 158.9, 153.6, 151.3, 128.4, 122.0, 121.9, 113.3, 113.2, 102.4, 100.8, 66.0, 64.4, 55.9, 44.9, 28.3, 26.6 (×2), 26.2, 14.3; ESI MS m/z 438 (M++Na+).

후처리

  1. temperatureUpon cooling
  2. extractionthe mixture extracted with DCM (3×40 mL)
  3. washThe combined organic phases were washed with sat. NaHCO3 (30 mL), brine (30 mL)
  4. dry with materialdried over anhydrous MgSO4
  5. customThe resultant solid was purified by flash column chromatography (
  6. wash×2, gradient elution with DCM/EtOAC (8/2) to DCM/EtOAc/MeOH (8/1/1)

출처 및 근거

ORD 기록
ord-a43f91d7dd6d458e920a45634e450c2d
출처 데이터셋
uspto-grants-2013_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08486642B2

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