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Thionyl Chloride → 7-(2-Methoxyimino-3,3-ethylenedioxybutyramido)-3-(benzothiazol-2-yl)thiomethyl-3-cephem-4-carboxylic acid

HRID 463398
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HRID 463398 반응식
C[Si](CC(N)=O)(C)C.[NH2:9][CH:10]1[C:31](=[O:32])[N:12]2[C:13]([C:28]([OH:30])=[O:29])=[C:14]([CH2:17][S:18][C:19]3[S:20][C:21]4[CH:27]=[CH:26][CH:25]=[CH:24][C:22]=4[N:23]=3)[CH2:15][S:16][C@H:11]12.S(Cl)(Cl)=O.[CH3:37][O:38][N:39]=[C:40]([C:44]1([O:49][CH2:48][CH2:47][O:46]1)[CH3:45])[C:41](O)=[O:42]>C(OCC)(=O)C.O.CO.CN(C)C=O>[CH3:37][O:38][N:39]=[C:40]([C:44]1([O:46][CH2:47][CH2:48][O:49]1)[CH3:45])[C:41]([NH:9][CH:10]1[C:31](=[O:32])[N:12]2[C:13]([C:28]([OH:30])=[O:29])=[C:14]([CH2:17][S:18][C:19]3[S:20][C:21]4[CH:27]=[CH:26][CH:25]=[CH:24][C:22]=4[N:23]=3)[CH2:15][S:16][C@H:11]12)=[O:42]
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참가 물질

9

반응물 4

HCID 24386Thionyl ChlorideHCID 357676Acetamide, 2-(trimethylsilyl)-HCID 128210677-Amino-3-(benzothiazol-2-yl)thiomethyl-3-cephem-4-carboxylic acidHCID 544524052-Methoxyimino-3,3-ethylenedioxybutyric acid

생성물 1

HCID 1317125267-(2-Methoxyimino-3,3-ethylenedioxybutyramido)-3-(benzothiazol-2-yl)thiomethyl-3-cephem-4-carboxylic acid수율 67.1%

시약·촉매·용매 4

HCID 887Methanol용매HCID 962Water용매HCID 6228Dimethylformamide용매HCID 8857Ethyl Acetate용매3회

실험 절차

Trimethylsilylacetamide (6.57 g.) was added to a suspension of 7-amino-3-(benzothiazol-2-yl)thiomethyl-3-cephem-4-carboxylic acid (3.8 g.) in ethyl acetate (80 ml.), and stirred at room temperature for an hour. On the other hand, thionyl chloride (1.5 g.) was added to a stirred solution of N,N-dimethylformamide (0.92 g.) in ethyl acetate (10 ml.), and stirred under ice-cooling for 30 minutes. To the solution was added 2-methoxyimino-3,3-ethylenedioxybutyric acid (syn isomer, 2.27 g.) and stirred at 5° to 10° C. for 2 hours. Thus obtained activated acid solution was added to the above solution at -30° C. over 45 minutes, and stirred at the same temperature for 2 hours. The resultant mixture was diluted with water (100 ml.) and stirred for 10 minutes. After removing the insoluble substance from the resultant mixture by filtration, the filtrate was extracted with a mixture solvent (200 ml.) of ethyl acetate and methanol (4:1) twice. The insoluble substance obtained above was suspended in the mixed solvent (200 ml.) of ethyl acetate and methanol (4:1), stirred for 30 minutes, and filtered. The filtrate and the above extract were combined, washed with saturated aqueous sodium chloride, dried over magnesium sulfate and concentrated in vacuo. Diisopropyl ether was added to the residue and allowed to stand in a refrigerator. After removing the solvent by decantation, the residue was triturated with n-hexane to give 7-[2-methoxyimino-3,3-ethylenedioxybutyramido]-3-(benzothiazol-2-yl)thiomethyl-3-cephem-4-carboxylic acid (syn isomer, 3.7 g.).

후처리

  1. stirringstirred under ice-
  2. temperaturecooling for 30 minutes
  3. stirringstirred at 5° to 10° C. for 2 hours
  4. additionThus obtained activated acid solution was added to the above solution at -30° C. over 45 minutes
  5. stirringstirred at the same temperature for 2 hours
  6. stirringstirred for 10 minutes
  7. customAfter removing the insoluble substance from the resultant mixture
  8. filtrationby filtration
  9. extractionthe filtrate was extracted with a mixture solvent (200 ml.) of ethyl acetate and methanol (4:1) twice
  10. customThe insoluble substance obtained
  11. stirringstirred for 30 minutes
  12. filtrationfiltered
  13. extractionThe filtrate and the above extract
  14. washwashed with saturated aqueous sodium chloride
  15. dry with materialdried over magnesium sulfate
  16. concentrationconcentrated in vacuo
  17. additionDiisopropyl ether was added to the residue
  18. customAfter removing the solvent by decantation
  19. customthe residue was triturated with n-hexane

출처 및 근거

ORD 기록
ord-08dd810428354cde8853ccb317cb6193
출처 데이터셋
uspto-grants-1985_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US04518774

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