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Hydrochloric Acid → p-Nitrobenzyl 3-hyroxy-7-phenoxyacetamido-3-cephem-4-carboxylate

HRID 1155421
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HRID 1155421 반응식
[O:1]([CH2:8][C:9]1[S:15][CH:14]2[CH:11]([C:12](=[O:33])[N:13]2[C:16](=[C:30]([OH:32])[CH3:31])[C:17]([O:19][CH2:20][C:21]2[CH:26]=[CH:25][C:24]([N+:27]([O-:29])=[O:28])=[CH:23][CH:22]=2)=[O:18])[N:10]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C1(P(Cl)(C2C=CC=CC=2)=[O:41])C=CC=CC=1.N1CCOCC1.BrBr.Cl>O1CCCC1.ClCCl.C(O)(=O)C.N1C=CC=CC=1.C(N(CC)CC)C>[O:1]([CH2:8][C:9]([NH:10][CH:11]1[C:12](=[O:33])[N:13]2[C:16]([C:17]([O:19][CH2:20][C:21]3[CH:26]=[CH:25][C:24]([N+:27]([O-:29])=[O:28])=[CH:23][CH:22]=3)=[O:18])=[C:30]([OH:32])[CH2:31][S:15][C@H:14]12)=[O:41])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

11

반응물 5

HCID 313Hydrochloric AcidHCID 8083MorpholineHCID 24408BromineHCID 73910Diphenylphosphinic chlorideHCID 70504145p-Nitrobenzyl alpha-[3-phenoxymethyl-7-oxo4-thia-2,6-diazabicyclo[3,2,0]hept-2-en-6-yl]-alpha-(1-hydroxyethylidene)acetate

생성물 1

HCID 67616247
p-Nitrobenzyl 3-hyroxy-7-phenoxyacetamido-3-cephem-4-carboxylate

시약·촉매·용매 5

HCID 176Acetic Acid용매HCID 1049Pyridine용매HCID 6344Dichloromethane용매HCID 8028Tetrahydrofuran용매HCID 8471Triethylamine용매

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온도
0 °C

실험 절차

To a stirred solution of p-nitrobenzyl α-[3-phenoxymethyl-7-oxo-4-thia-2,6-diazabicyclo [3,2,0]hept-2-en-6-yl]-α-(1-hydroxyethylidene)acetate (9.38 g) in tetrahydrofuran (120 ml) under a nitrogen atmosphere at 20° C. was added triethylamine (3.21 ml) followed by diphenylphosphoryl chloride (4.77 ml). The reaction mixture was then stirred for 2 hours and cooled to 0° C. Morpholine (4.01 ml) was added and the reaction mixture stirred for 2 hours at 0°-5° C. The reaction mixture was next cooled to -30° to -35° C. and pyridine (1.62 ml) added followed by the dropwise addition of bromine (1.00 ml) over a period of 10 minutes. The reaction mixture was stirred at -30° to -35° C. for 20 minutes and 5% hydrochloric acid (144 ml) added, followed by further stirring at room temperature for 3 hours. The reaction mixture was then stood at 0° C. overnight. The reaction mixture was extracted with dichloromethane and the organic extracts washed with water then saturated sodium chloride solution, dried with magnesium sulphate and evaporated to dryness. The product thus obtained was dissolved in dichloromethane and acetic acid added, the dichloromethane removed under reduced pressure and then ether was added with stirring to complete crystallization. The product was isolated by filtration, washed with ether then dried in vacuo at 40° C. for 5 hours. The yield of p-nitrobenzyl 7-phenoxyacetamido-3-hydroxy-3-cephem-4-carboxylate acetic acid solvate was 9.16 g (84%).

후처리

  1. stirringthe reaction mixture stirred for 2 hours at 0°-5° C
  2. temperatureThe reaction mixture was next cooled to -30° to -35° C.
  3. stirringThe reaction mixture was stirred at -30° to -35° C. for 20 minutes
  4. stirringby further stirring at room temperature for 3 hours
  5. waitThe reaction mixture was then stood at 0° C. overnight
  6. extractionThe reaction mixture was extracted with dichloromethane
  7. washthe organic extracts washed with water
  8. dry with materialsaturated sodium chloride solution, dried with magnesium sulphate
  9. customevaporated to dryness
  10. customThe product thus obtained
  11. customthe dichloromethane removed under reduced pressure
  12. additionether was added
  13. stirringwith stirring to complete crystallization
  14. customThe product was isolated by filtration
  15. washwashed with ether
  16. customthen dried in vacuo at 40° C. for 5 hours

출처 및 근거

ORD 기록
ord-1959ef6184754041b872e7f9630ce2ce
출처 데이터셋
uspto-grants-1981_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US04301280

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