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Phosphorus oxychloride → Sodium 7-[2-(2-formamido-5-bromothiazol-4-yl)-2-methoxyiminoacetamido]-3-hydroxymethyl-3-cephem-4-carboxylate

HRID 568844
Notes
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Reaction equation

HRID 568844 reaction equation
[NH2:1][CH:2]1[C:14](=[O:15])[N:4]2[C:5]([C:11]([OH:13])=[O:12])=[C:6]([CH2:9][OH:10])[CH2:7][S:8][C@H:3]12.C[Si](CC(N)=O)(C)C.P(Cl)(Cl)(Cl)=O.[CH:29]([NH:31][C:32]1[S:33][C:34]([Br:44])=[C:35]([C:37](=[N:41][O:42][CH3:43])[C:38](O)=[O:39])[N:36]=1)=[O:30].C(=O)(O)[O-].[Na+:49]>C(OCC)(=O)C.CO.CN(C)C=O>[CH:29]([NH:31][C:32]1[S:33][C:34]([Br:44])=[C:35]([C:37](=[N:41][O:42][CH3:43])[C:38]([NH:1][CH:2]2[C:14](=[O:15])[N:4]3[C:5]([C:11]([O-:13])=[O:12])=[C:6]([CH2:9][OH:10])[CH2:7][S:8][C@H:3]23)=[O:39])[N:36]=1)=[O:30].[Na+:49]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

9

Reactant 5

HCID 24813Phosphorus oxychlorideHCID 357676Acetamide, 2-(trimethylsilyl)-HCID 516892Sodium BicarbonateHCID 129054807-Amino-3-hydroxymethyl-3-cephem-4-carboxylic AcidHCID 538011022-(2-Formamido-5-bromothiazol-4-yl)-2-methoxyiminoacetic acid

Product 1

HCID 131715344
Sodium 7-[2-(2-formamido-5-bromothiazol-4-yl)-2-methoxyiminoacetamido]-3-hydroxymethyl-3-cephem-4-carboxylate
Yield 43.2%

Reagents, catalysts & solvents 3

HCID 887MethanolSolventHCID 6228DimethylformamideSolventHCID 8857Ethyl AcetateSolvent2×

Procedure

A solution of 7-amino-3-hydroxymethyl-3-cephem-4-carboxylic acid (2.5 g.) and trimethylsilylacetamide (10.6 g.) in dry ethyl acetate (60 ml.) and a mixture of dimethylformamide (0.75 ml.), phosphoryl chloride (0.88 ml.), 2-(2-formamido-5-bromothiazol-4-yl)-2-methoxyiminoacetic acid (syn isomer, 2.5 g.) and dry ethyl acetate (7.0 ml.) were stirred at -20° to -10° C. for an hour. The reaction mixture was added to aqueous solution (50 ml.) of sodium bicarbonate (3.3 g.), under ice-cooling. Methanol (2 ml.) was added to the mixture and stirred under ice-cooling for 30 minutes. The mixture was washed with ethyl acetate twice. After removing the ethyl acetate, the aqueous solution was adjusted to pH 6.5 with sodium bicarbonate and allowed to stand in a refrigerator. The solution was adjusted to pH 5.0 with 6N-hydrochloric acid and subjected to column chromatography on non-ionic adsorption resin HP-20 (Trademark, manufactured by Mitsubishi Chemical Industries Ltd.), washed with water (200 ml.) and then eluted with 20% isopropyl alcohol (400 ml.). The eluate was evaporated in vacuo. The residue was pulverized with acetone (80 ml.), and the precipitates were collected by filtration and dried to give sodium 7-[2-(2-formamido-5-bromothiazol-4-yl)-2-methoxyiminoacetamido]-3-hydroxymethyl-3-cephem-4-carboxylate (syn isomer, 1.9 g.).

Workup

  1. temperaturecooling
  2. stirringstirred under ice-
  3. temperaturecooling for 30 minutes
  4. washThe mixture was washed with ethyl acetate twice
  5. customAfter removing the ethyl acetate
  6. wash(Trademark, manufactured by Mitsubishi Chemical Industries Ltd.), washed with water (200 ml.)
  7. washeluted with 20% isopropyl alcohol (400 ml.)
  8. customThe eluate was evaporated in vacuo
  9. filtrationthe precipitates were collected by filtration
  10. customdried

Sources & evidence

ORD record
ord-21e2db27e15f4c6a8bb8f5fe794bbdc9
Source dataset
uspto-grants-1988_03
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US04729991

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes