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Hydrochloric Acid → Chloro-N,N-dimethylformiminium chloride

HRID 1659746
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HRID 1659746 반응식
P(Cl)(Cl)([Cl:3])=O.[O:6]1[CH:10]=[CH:9][C:8]([CH2:11][O:12][N:13]=[C:14]([C:18]2[N:19]=[C:20]([NH:23][CH:24]=[O:25])[S:21][CH:22]=2)[C:15]([OH:17])=O)=[N:7]1.[NH2:26][CH:27]1[C:47](=[O:48])[N:29]2[C:30]([C:44]([OH:46])=[O:45])=[C:31]([CH2:34][S:35][C:36]3[N:40]([CH2:41][CH:42]=[CH2:43])[N:39]=[N:38][N:37]=3)[CH2:32][S:33][C@H:28]12.[ClH:49]>O.CC(C)=O.C(OCC)(=O)C.C(N(CC)CC)C.O1CCCC1.CN(C)C=O>[CH3:28][N+:29]([CH3:47])=[CH:30][Cl:49].[Cl-:3].[O:6]1[CH:10]=[CH:9][C:8]([CH2:11][O:12][N:13]=[C:14]([C:18]2[N:19]=[C:20]([NH:23][CH:24]=[O:25])[S:21][CH:22]=2)[C:15]([NH:26][CH:27]2[C:47](=[O:48])[N:29]3[C:30]([C:44]([OH:46])=[O:45])=[C:31]([CH2:34][S:35][C:36]4[N:40]([CH2:41][CH:42]=[CH2:43])[N:39]=[N:38][N:37]=4)[CH2:32][S:33][C@H:28]23)=[O:17])=[N:7]1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

12

반응물 4

HCID 313Hydrochloric AcidHCID 24813Phosphorus oxychlorideHCID 537376352-(2-Formamidothiazol-4-yl)-2-[(3-isoxazolyl)methoxyimino]acetic acidHCID 704326537-amino-3-(1-allyl-1H-tetrazol-5-yl)thiomethyl-3-cephem-4-carboxylic acid

생성물 2

HCID 77311Chloro-N,N-dimethylformiminium chloride
HCID 131712583
7-[2-(3-isoxazolyl)methoxyimino-2-(2-formamidothiazol-4-yl)acetamido]-3-(1-allyl-1H-tetrazol-5-yl)thiomethyl-3-cephem-4-carboxylic acid

시약·촉매·용매 6

HCID 180Acetone용매HCID 962Water용매HCID 6228Dimethylformamide용매HCID 8028Tetrahydrofuran용매HCID 8471Triethylamine용매HCID 8857Ethyl Acetate용매2회

실험 절차

The Vilsmeier reagent was prepared from dry dimethylformamide (0.74 g), phosphorus oxychloride (1.56 g) and dry ethyl acetate (2.0 ml) by the conventional method. Dry tetrahydrofuran (15 ml) was added thereto and then 2-(3-isoxazolyl)methoxyimino-2-(2-formamidothiazol-4-yl)acetic acid (syn isomer) (1.50 g) was added thereto at 0° C. The mixture was stirred for 30 minutes at the same temperature. The resulting mixture was added dropwise at -5° to 0° C. to a stirred solution of 7-amino-3-(1-allyl-1H-tetrazol-5-yl)thiomethyl-3-cephem-4-carboxylic acid (2.34 g) in a mixture of water (11.5 ml) and acetone (11.5 ml) keeping the pH at 7.5 by triethylamine, and the mixture was stirred for 30 minutes at the same temperature at pH 7.5. To the reaction mixture was added ethyl acetate (60 ml) and the mixture was adjusted to pH 2.5 with 10% hydrochloric acid. Insoluble material was filtered off and the filtrate was extracted twice with ethyl acetate. The combined extracts were washed twice with a saturated sodium chloride aqueous solution and dried over magnesium sulfate. The solvent was distilled off and the residue was pulverized with diethyl ether to give yellowish powder of 7-[2-(3-isoxazolyl)methoxyimino-2-(2-formamidothiazol-4-yl)acetamido]-3-(1-allyl-1H-tetrazol-5-yl)thiomethyl-3-cephem-4-carboxylic acid (syn isomer) (2.15 g).

후처리

  1. customat 0° C
  2. stirringthe mixture was stirred for 30 minutes at the same temperature at pH 7.5
  3. filtrationInsoluble material was filtered off
  4. extractionthe filtrate was extracted twice with ethyl acetate
  5. washThe combined extracts were washed twice with a saturated sodium chloride aqueous solution
  6. dry with materialdried over magnesium sulfate
  7. distillationThe solvent was distilled off

출처 및 근거

ORD 기록
ord-631b09ac6142405fa0a72f9b5381ff56
출처 데이터셋
uspto-grants-1981_12
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US04304770

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