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Thionyl Chloride → 7-(2-Methoxyimino-3,3-ethylenedioxybutyramido)-3-(5-methyl-1,3,4-thiadiazol-2-yl)thiomethyl-3-cephem-4-carboxylic acid

HRID 463405
ノート
印刷プレビュー

反応式

HRID 463405 の反応式
S(Cl)(Cl)=O.[CH3:5][O:6][N:7]=[C:8]([C:12]1([O:17][CH2:16][CH2:15][O:14]1)[CH3:13])[C:9]([OH:11])=O.[NH2:18][CH:19]1[C:37](=[O:38])[N:21]2[C:22]([C:34]([OH:36])=[O:35])=[C:23]([CH2:26][S:27][C:28]3[S:29][C:30]([CH3:33])=[N:31][N:32]=3)[CH2:24][S:25][C@H:20]12.C(=O)(O)[O-].[Na+]>C(OCC)(=O)C.C(Cl)Cl.C(N(CC)CC)C.CN(C)C=O>[CH3:5][O:6][N:7]=[C:8]([C:12]1([O:17][CH2:16][CH2:15][O:14]1)[CH3:13])[C:9]([NH:18][CH:19]1[C:37](=[O:38])[N:21]2[C:22]([C:34]([OH:36])=[O:35])=[C:23]([CH2:26][S:27][C:28]3[S:29][C:30]([CH3:33])=[N:31][N:32]=3)[CH2:24][S:25][C@H:20]12)=[O:11]
参加物実験手順後処理出典と根拠反応ノート

参加物

9

反応物 4

HCID 24386Thionyl ChlorideHCID 516892Sodium BicarbonateHCID 129420347-Amino-3-(5-methyl-1,3,4-thiadiazol-2-yl)thiomethyl-3-cephem-4-carboxylic acidHCID 544524052-Methoxyimino-3,3-ethylenedioxybutyric acid

生成物 1

HCID 1317125297-(2-Methoxyimino-3,3-ethylenedioxybutyramido)-3-(5-methyl-1,3,4-thiadiazol-2-yl)thiomethyl-3-cephem-4-carboxylic acid収率 42.7%

試薬・触媒・溶媒 4

HCID 6228Dimethylformamide溶媒HCID 6344Dichloromethane溶媒HCID 8471Triethylamine溶媒HCID 8857Ethyl Acetate溶媒

実験手順

Thionyl chloride (1.52 g.) was added to a solution of dry N,N-dimethylformamide (0.92 g.) in dry ethyl acetate (16 ml.) under ice-cooling, and stirred at the same temperature for 30 minutes. 2-Methoxyimino-3,3-ethylenedioxybutyric acid (syn isomer, 2.3 g.) was added to the solution and stirred under ice-cooling for an hour. The solution was added dropwise to a stirred solution of 7-amino-3-(5-methyl-1,3,4-thiadiazol-2-yl)thiomethyl-3-cephem-4-carboxylic acid (3.44 g.) and triethylamine (4.9 ml.) in dry methylene chloride (70 ml.) over 30 minutes and stirred at -20° to -30° C. for 1.5 hours. After adding an aqueous solution of sodium bicarbonate to the resultant solution, the aqueous layer was separated and washed with ethyl acetate. A mixed solvent (100 ml.) of ethyl acetate and methanol (4:1) was added to the aqueous solution, adjusted to pH 2.5 with 20% sulfuric acid under ice-cooling and filtered. The ethyl acetate layer was separated from the filtrate. The aqueous layer was extracted with ethyl acetate (50 ml.) twice. The ethyl acetate layer and the extract were combined, washed with water and saturated aqueous sodium chloride in turn, dried over magnesium sulfate and concentrated in vacuo. The residue was triturated with diisopropyl ether and the precipitates was collected by filtration to give 7-(2-methoxyimino-3,3-ethylenedioxybutyramido)-3-(5-methyl-1,3,4-thiadiazol-2-yl)thiomethyl-3-cephem-4-carboxylic acid (syn isomer, 2.2 g.), yellow powder.

後処理

  1. temperaturecooling
  2. stirringstirred under ice-
  3. temperaturecooling for an hour
  4. stirringstirred at -20° to -30° C. for 1.5 hours
  5. customthe aqueous layer was separated
  6. washwashed with ethyl acetate
  7. additionA mixed solvent (100 ml.) of ethyl acetate and methanol (4:1) was added to the aqueous solution
  8. temperaturecooling
  9. filtrationfiltered
  10. customThe ethyl acetate layer was separated from the filtrate
  11. extractionThe aqueous layer was extracted with ethyl acetate (50 ml.) twice
  12. washwashed with water and saturated aqueous sodium chloride in turn
  13. dry with materialdried over magnesium sulfate
  14. concentrationconcentrated in vacuo
  15. customThe residue was triturated with diisopropyl ether
  16. filtrationthe precipitates was collected by filtration

出典と根拠

ORDレコード
ord-7fb89fea6f724d21b5b7f867796a3d39
出典データセット
uspto-grants-1985_05
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US04518774

反応ノート

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