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Sodium Carbonate → Chloro-N,N-dimethylformiminium chloride

HRID 325973
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HRID 325973 반응식
P(Cl)(Cl)([Cl:3])=O.[CH3:6][S:7][CH2:8][O:9][N:10]=[C:11]([C:15]1[N:16]=[C:17]([NH:20][CH:21]=[O:22])[S:18][CH:19]=1)[C:12]([OH:14])=O.[CH3:23][N+:24]([CH3:27])=[CH:25][Cl:26].[Cl-].O.O.Cl.[Cl-].[NH2:33][CH:34]1[C:51](=[O:52])[N:36]2[C:37]([C:48]([OH:50])=[O:49])=[C:38]([CH2:41][N+:42]3[CH:47]=[CH:46][CH:45]=[CH:44][CH:43]=3)[CH2:39][S:40][C@H:35]12.C(=O)(O)[O-].[Na+].C(=O)([O-])[O-].[Na+].[Na+]>C(OCC)(=O)C.O1CCCC1.O.CC(C)=O.CN(C)C=O>[CH3:23][N+:24]([CH3:27])=[CH:25][Cl:26].[Cl-:3].[CH3:6][S:7][CH2:8][O:9][N:10]=[C:11]([C:15]1[N:16]=[C:17]([NH:20][CH:21]=[O:22])[S:18][CH:19]=1)[C:12]([NH:33][CH:34]1[C:51](=[O:52])[N:36]2[C:37]([C:48]([O-:50])=[O:49])=[C:38]([CH2:41][N+:42]3[CH:43]=[CH:44][CH:45]=[CH:46][CH:47]=3)[CH2:39][S:40][C@H:35]12)=[O:14]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

13

반응물 6

HCID 10340Sodium CarbonateHCID 24813Phosphorus oxychlorideHCID 77311Chloro-N,N-dimethylformiminium chlorideHCID 516892Sodium BicarbonateHCID 53744847HCID 53744847, 화합물HCID 70450238HCID 70450238, 화합물

생성물 2

HCID 77311
Chloro-N,N-dimethylformiminium chloride
HCID 131713490HCID 131713490, 화합물

시약·촉매·용매 5

HCID 180Acetone용매HCID 962Water용매2회HCID 6228Dimethylformamide용매HCID 8028Tetrahydrofuran용매HCID 8857Ethyl Acetate용매2회

실험 절차

Vilsmeier reagent was prepared from phosphorus oxychloride (2.0 g) and dimethylformamide (0.95 g) in ethyl acetate (2.8 ml) in a usual manner. 2-Methylthiomethoxyimino-2-(2-formamidothiazol-4-yl) acetic acid (syn isomer) (3.0 g) was added to the stirred suspension of Vilsmeier reagent in tetrahydrofuran (30 ml) under ice cooling, and stirred for 30 minutes at the same temperature to produce an activated acid solution. On the other hand, 1-[(7-amino-4-carboxy-3-cephem-3-yl)methyl]pyridinium chloride hydrochloride dihydrate (4.0 g) was dissolved to the solution of sodium bicarbonate (2.5 g) in water (20 ml) and acetone (20 ml). To the solution was added the above activated acid solution at -3° to 3° C. and the solution was stirred for 30 minutes under keeping the pH 6.5 to 7.5 with 20% aqueous solution of sodium carbonate. Water and ethyl acetate were added to the reaction mixture and a separate aqueous layer was washed with ethyl acetate. The aqueous layer was adjusted to pH 4.5 with 10% aqueous hydrochloric acid. After removing the solvent under reduced pressuer, the aqueous solution was adjusted to pH 4.0 with 10% aqueous hydrochloric acid under ice cooling. The solution was subjected to column chromatography on macroporous non-ionic adsorption resin "Diaion HP-20" (Trademark: prepared by Mitsubishi Chemical Industries) and eluted with 10% aqueous solution of iso-propyl alcohol. The fractions containing the object compound were concentrated and lyophilized to give 7-[2-methylthiomethoxyimino-2-(2-formamidothiazol-4-yl)acetamido]-3-(1-pyridiniomethyl)-3-cephem-4-carboxylate (syn isomer)(1.3 g).

후처리

  1. customto produce an activated acid solution
  2. additionTo the solution was added the above activated acid solution at -3° to 3° C.
  3. stirringthe solution was stirred for 30 minutes
  4. washa separate aqueous layer was washed with ethyl acetate
  5. customAfter removing the solvent under reduced pressuer
  6. customThe solution was subjected to column chromatography on macroporous non-ionic adsorption resin "Diaion HP-20" (Trademark: prepared by Mitsubishi Chemical Industries)
  7. washeluted with 10% aqueous solution of iso-propyl alcohol
  8. additionThe fractions containing the object compound
  9. concentrationwere concentrated

출처 및 근거

ORD 기록
ord-14db42d4025a49c783c7ecca253ae496
출처 데이터셋
uspto-grants-1984_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US04443444

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