홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /반응

Phosphorus oxychloride → 7-[2-hydroxyimino-2-(3-hydroxyphenyl)acetamido]-3-(1-carboxymethyl-1H-tetrazol-5-yl)thiomethyl-3-cephem-4-carboxylic acid

HRID 648408
노트
인쇄 미리보기

반응식

HRID 648408 반응식
P(Cl)(Cl)([Cl:3])=O.Cl[CH:7]([Cl:23])C([O:10][N:11]=[C:12]([C:16]1[CH:21]=[CH:20][CH:19]=[C:18]([OH:22])[CH:17]=1)[C:13]([OH:15])=O)=O.[NH2:24][CH:25]1[C:46](=[O:47])[N:27]2[C:28]([C:43]([OH:45])=[O:44])=[C:29]([CH2:32][S:33][C:34]3[N:38]([CH2:39][C:40]([OH:42])=[O:41])[N:37]=[N:36][N:35]=3)[CH2:30][S:31][C@H:26]12.C(=O)(O)[O-].[Na+]>C(OCC)(=O)C.O.CC(C)=O.CN(C)C=O>[CH3:26][N+:27]([CH3:28])=[CH:7][Cl:23].[Cl-:3].[OH:10][N:11]=[C:12]([C:16]1[CH:21]=[CH:20][CH:19]=[C:18]([OH:22])[CH:17]=1)[C:13]([NH:24][CH:25]1[C:46](=[O:47])[N:27]2[C:28]([C:43]([OH:45])=[O:44])=[C:29]([CH2:32][S:33][C:34]3[N:38]([CH2:39][C:40]([OH:42])=[O:41])[N:37]=[N:36][N:35]=3)[CH2:30][S:31][C@H:26]12)=[O:15]
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

10

반응물 4

HCID 24813Phosphorus oxychlorideHCID 516892Sodium BicarbonateHCID 127691497-amino-3-(1-carboxymethyl-1H-tetrazol-5-yl)thiomethyl-3-cephem-4-carboxylic acidHCID 541128092-Dichloroacetoxyimino-2-(3-hydroxyphenyl)acetic acid

생성물 2

HCID 77311Chloro-N,N-dimethylformiminium chloride
HCID 131712404
7-[2-hydroxyimino-2-(3-hydroxyphenyl)acetamido]-3-(1-carboxymethyl-1H-tetrazol-5-yl)thiomethyl-3-cephem-4-carboxylic acid
수율 132.9%

시약·촉매·용매 4

HCID 180Acetone용매HCID 962Water용매HCID 6228Dimethylformamide용매HCID 8857Ethyl Acetate용매4회

반응 조건

온도
-10 °C

실험 절차

The Vilsmeier reagent was prepared by conventional method from dimethylformamide (1.16 g.), phosphorus oxychloride (2.44 g.) and ethyl acetate (6 ml.). Ethyl acetate (10 ml.) was added thereto, and then a solution of 2-dichloroacetoxyimino-2-(3-hydroxyphenyl)acetic acid (syn isomer) (4.03 g.) in ethyl acetate (28 ml.) was added thereto with stirring at -10° C., after which the resulting mixture was stirred for 30 minutes at the same temperature to give a solution. On the other hand, a suspension of 7-amino-3-(1-carboxymethyl-1H-tetrazol-5-yl)thiomethyl-3-cephem-4-carboxylic acid (4.30 g.) in water (25 ml.) was dissolved by adding a saturated aqueous solution of sodium bicarbonate and acetone (50 ml.) was added thereto to adjust the pH of the solution at 7.5. To this solution was added dropwise with stirring at -10° C. the ethyl acetate solution obtained above, and then the resulting mixture was stirred for 1 hour at the same temperature, during which the pH of the mixture was kept at 6.5 to 7.0. The reaction mixture was adjusted to pH5.5 and washed with ethyl acetate (60 ml.). The aqueous layer was adjusted to pH2.0 and extracted with ethyl acetate (400 ml.). The extract was washed with a saturated aqueous solution of sodium chloride, dried over magnesium sulfate and concentrated. The residue was pulverized with diethyl ether and the powder was collected by filtration to give 7-[2-hydroxyimino-2-(3-hydroxyphenyl)acetamido]-3-(1-carboxymethyl-1H-tetrazol-5-yl)thiomethyl-3-cephem-4-carboxylic acid (syn isomer) (4.11 g.).

후처리

  1. stirringafter which the resulting mixture was stirred for 30 minutes at the same temperature
  2. customto give a solution
  3. dissolutionwas dissolved
  4. additionwas added
  5. additionTo this solution was added dropwise
  6. customobtained above, and then the resulting mixture
  7. stirringwas stirred for 1 hour at the same temperature, during which the pH of the mixture
  8. washwashed with ethyl acetate (60 ml.)
  9. extractionextracted with ethyl acetate (400 ml.)
  10. washThe extract was washed with a saturated aqueous solution of sodium chloride
  11. dry with materialdried over magnesium sulfate
  12. concentrationconcentrated
  13. filtrationthe powder was collected by filtration

출처 및 근거

ORD 기록
ord-566cfab85a0240e0b8bfd0c61bf24d8c
출처 데이터셋
uspto-grants-1983_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US04411898

반응 노트

불러오는 중…

이 페이지에서참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트