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Phosphorus oxychloride → 2-Methyl-7-[2-methoxyimino-2-(2-formylaminothiazol-4-yl)acetamido]-3-cephem-4-carboxylic acid

HRID 28288
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HRID 28288 반응식
P(Cl)(Cl)(Cl)=O.[CH3:6][O:7][N:8]=[C:9]([C:13]1[N:14]=[C:15]([NH:18][CH:19]=[O:20])[S:16][CH:17]=1)[C:10]([OH:12])=O.[CH3:21][CH:22]1[CH:27]=[C:26]([C:28]([OH:30])=[O:29])[N:25]2[C:31](=[O:34])[CH:32]([NH2:33])[C@H:24]2[S:23]1.C[Si](CC(N)=O)(C)C.C(=O)(O)[O-].[Na+]>C(OCC)(=O)C.O.CN(C)C=O>[CH3:21][CH:22]1[CH:27]=[C:26]([C:28]([OH:30])=[O:29])[N:25]2[C:31](=[O:34])[CH:32]([NH:33][C:10](=[O:12])[C:9](=[N:8][O:7][CH3:6])[C:13]3[N:14]=[C:15]([NH:18][CH:19]=[O:20])[S:16][CH:17]=3)[C@H:24]2[S:23]1
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참가 물질

10

반응물 6

HCID 24813Phosphorus oxychlorideHCID 357676Acetamide, 2-(trimethylsilyl)-HCID 516892Sodium BicarbonateHCID 27245112-(2-Formylamino-1,3-Thiazol-4-Yl)-2-(Methoxyimino)Acetic AcidHCID 128022512-Methyl-7-amino-3-cephem-4-carboxylic acidHCID 178502841HCID 178502841, 화합물

생성물 1

HCID 131711495
2-Methyl-7-[2-methoxyimino-2-(2-formylaminothiazol-4-yl)acetamido]-3-cephem-4-carboxylic acid

시약·촉매·용매 3

HCID 962Water용매HCID 6228Dimethylformamide용매HCID 8857Ethyl Acetate용매2회

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온도
3 °C

실험 절차

To dimethylformamide (6.42 g.) was added dropwise phosphorus oxychloride (12.5 g.) over 20 minutes with stirring under cooling to 5° to 10° C., and the mixture was stirred for 30 minutes at 40° C., and then ethyl acetate (200 ml.) was added thereto with vigorous stirring. After the mixture was cooled to 3° C., 2-methoxyimino-2-(2-formylaminothiazol-4-yl)acetic acid (syn isomer), which can be represented as 2-methoxyimino-2-(2-formylimino-2,3-dihydrothiazol-4-yl)acetic acid (syn isomer), (18.34 g.) was added thereto, and then the mixture was stirred for 40 minutes at 3° to 5° C. Thus obtained solution was added to a solution, which was prepared by stirring a mixture of 2-methyl-7-amino-3-cephem-4-carboxylic acid (17.1 g.) and trimethylsilylacetamide (84 g.) in ethyl acetate (300 ml.) for 1 hour at room temperature, with vigorous stirring under cooling to -25° C. The mixture was stirred for 1 hour at -20° to -15° C. and for 30 minutes at -10° to -5° C. To the mixture was added water (200 ml.) at room temperature, and the mixture was further stirred for 20 minutes at the same temperature. After a saturated aqueous sodium bicarbonate solution was added to the mixture in order to dissolve the precipitates, the aqueous layer was separated. To the aqueous layer was added ethyl acetate, and the mixture was adjusted to pH 2 with 2 N hydrochloric acid, and then the ethyl acetate layer was separated. The remaining aqueous layer was further extracted with ethyl acetate. The ethyl acetate layers were combined together, washed with a saturated aqueous sodium chloride solution, dried over magnesium sulfate, treated with an activated charcoal and then concentrated. Thus obtained crystalline residue was pulverized in diethyl ether, collected by filtration and then dried to give white crystals of 2-methyl-7-[2-methoxyimino-2-(2-formylaminothiazol-4-yl)acetamido]-3-cephem-4-carboxylic acid (syn isomer), which can be represented as 2-methyl-7-[2-methoxyimino-2-(2-formylimino-2,3-dihydrothiazol-4-yl)acetamido]-3-cephem-4-carboxylic acid (syn isomer), (32.2 g.). This compound was recrystallized from methanol to give white crystals of the pure object compound, mp 174° to 204° C. (dec.).

후처리

  1. temperatureunder cooling to 5° to 10° C.
  2. stirringthe mixture was stirred for 30 minutes at 40° C.
  3. additionwas added
  4. stirringthe mixture was stirred for 40 minutes at 3° to 5° C
  5. additionThus obtained solution was added to a solution, which
  6. customwas prepared
  7. stirringby stirring
  8. stirringwith vigorous stirring
  9. temperatureunder cooling to -25° C
  10. stirringThe mixture was stirred for 1 hour at -20° to -15° C. and for 30 minutes at -10° to -5° C
  11. stirringthe mixture was further stirred for 20 minutes at the same temperature
  12. dissolutionto dissolve the precipitates
  13. customthe aqueous layer was separated
  14. additionTo the aqueous layer was added ethyl acetate
  15. customthe ethyl acetate layer was separated
  16. extractionThe remaining aqueous layer was further extracted with ethyl acetate
  17. washwashed with a saturated aqueous sodium chloride solution
  18. dry with materialdried over magnesium sulfate
  19. additiontreated with an activated charcoal
  20. concentrationconcentrated
  21. filtrationcollected by filtration
  22. customdried

출처 및 근거

ORD 기록
ord-ed0287ca8339474eafc3525d62ed7438
출처 데이터셋
uspto-grants-1980_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US04225707

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