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

HRID 1593221
ノート
印刷プレビュー

反応式

HRID 1593221 の反応式
[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]
参加物反応条件実験手順後処理出典と根拠反応ノート

参加物

7

反応物 4

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

生成物 1

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

試薬・触媒・溶媒 2

HCID 241
Benzene
溶媒
2 回
HCID 962Water溶媒

反応条件

温度
65 °C

実験手順

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+).

後処理

  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)

出典と根拠

ORDレコード
ord-c6d639ee8d65483081274fbb5e981522
出典データセット
uspto-grants-2007_11
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07294748B2

反応ノート

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