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Hydrazinecarboxaldehyde → HCID 18349239, 화합물

HRID 2268095
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HRID 2268095 반응식
[C:1]([NH:4][C:5]1[CH:13]=[CH:12][CH:11]=[C:10]2[C:6]=1[C:7](=[O:31])[N:8]([CH:15]([C:20]1[CH:25]=[CH:24][C:23]([O:26][CH3:27])=[C:22]([O:28][CH2:29][CH3:30])[CH:21]=1)[CH2:16][C:17]([OH:19])=O)[C:9]2=[O:14])(=[O:3])[CH3:2].C(N1C=CN=C1)(N1C=CN=C1)=O.[CH:44]([NH:46][NH2:47])=O.P(Cl)(Cl)(Cl)=O>C(#N)C.CCOCC.O>[CH2:29]([O:28][C:22]1[CH:21]=[C:20]([CH:15]([N:8]2[C:7](=[O:31])[C:6]3[C:10](=[CH:11][CH:12]=[CH:13][C:5]=3[NH:4][C:1](=[O:3])[CH3:2])[C:9]2=[O:14])[CH2:16][C:17]2[O:19][CH:44]=[N:46][N:47]=2)[CH:25]=[CH:24][C:23]=1[O:26][CH3:27])[CH3:30]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

8

반응물 4

HCID 12229HydrazinecarboxaldehydeHCID 24813Phosphorus oxychlorideHCID 682631,1'-CarbonyldiimidazoleHCID 21988659HCID 21988659, 화합물

생성물 1

HCID 18349239HCID 18349239, 화합물수율 27%

시약·촉매·용매 3

HCID 962Water용매
HCID 3283
Diethyl Ether
용매
HCID 6342Acetonitrile용매

실험 절차

A mixture of 3-[4-(acetylamino)-1,3-dioxoisoindolin-2-yl]-3-(3-ethoxy-4-methoxyphenyl)propanoic acid (1.69 g, 3.96 mmol) and carbonyidiimidazole (0.71 g, 4.4 mmol) in acetonitrile (20 mL) was stirred at room temperature for 2 hours. To the solution was added formic hydrazide (289 mg, 4.81 mmol). The mixture was then stirred for 18 hours. To the resulting solution was added phosphorus oxychloride (1.0 mL, 10.7 mmol), and this mixture was heated at reflux for 2 hours. The solution was poured to water (10 mL). The aqueous layer was extracted with ethyl acetate (2×50 mL). The combined organic layers were washed with aqueous sodium hydrogen carbonate (50 mL, sat), brine (50 mL) and then dried over magnesium sulfate. Chromatography followed by removal of solvent yielded an oil. The oil was stirred in ether (10 mL) to give a suspension. This suspension was filtered to yield N-[2-[1-(3-ethoxy-4-methoxyphenyl)-2-(1,3,4-oxadiazol-2-yl)ethyl]-1,3-dioxoisoindolin-4-yl]acetamide as a white solid (478 mg, 27% yield): mp, 141.0-143.0° C.; 1H NMR (CDCl3) δ 1.47 (t, J=6.9 Hz, 3H, CH3), 2.26 (s, 3H, CH3), 3.74 (dd, J=5.8, 15.8 Hz, 1H, CHH), 3.85 (s, 3H, CH3), 4.11 (q, J=7.1 Hz, 2H, CH2), 4.38 (dd, J=10.6, 15.8 Hz, 1H, CHH), 5.78 (dd, J=5.6, 10.6 Hz, 1H, NCH), 6.83 (d, J=8.9 Hz, 1H, Ar), 7.11-7.14 (m, 2H, Ar), 7.45 (d, J=7.2 Hz, 1H, Ar), 7.64 (d, J=7.5 Hz, 1H, Ar), 8.31 (s, 1H, Ar), 8.75 (d, J=8.4 Hz, 1H, Ar), 9.46 (br s, 1H, NH); 13C NMR (CDCl3) δ 14,70, 24.92, 27.60, 51.74, 55.92, 64.50, 111.40, 112.47, 115.15, 118.11, 120.15, 124.91, 129.87, 130.99, 136.01, 137.55, 148.49, 149.59, 153.07, 163.88, 167.44, 169.14, 169.75; Anal Calcd for C23H22N4O6: C, 61.33; H, 4.92; N, 12.44. Found: C, 61.37; H, 4.88; N, 12.11.

후처리

  1. stirringThe mixture was then stirred for 18 hours
  2. temperaturethis mixture was heated
  3. temperatureat reflux for 2 hours
  4. extractionThe aqueous layer was extracted with ethyl acetate (2×50 mL)
  5. washThe combined organic layers were washed with aqueous sodium hydrogen carbonate (50 mL, sat), brine (50 mL)
  6. dry with materialdried over magnesium sulfate
  7. customChromatography followed by removal of solvent
  8. customyielded an oil
  9. customto give a suspension
  10. filtrationThis suspension was filtered

출처 및 근거

ORD 기록
ord-8747f2fd1baf4610a99b79c0b1431199
출처 데이터셋
uspto-grants-2001_12
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06326388B1

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