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

Chloride → 7-[2-(2-formamidothiazol-4-yl)-2-(2-chloroethoxyimino)acetamido]-3-(1-allyl-1H-tetrazol-5-yl)thiomethyl-3-cephem-4-carboxylic acid

HRID 255790
노트
인쇄 미리보기

반응식

HRID 255790 반응식
[CH3:1][N:2]([CH3:5])[CH:3]=O.[Cl-:6].[CH:7]([NH:9][C:10]1[S:11][CH:12]=[C:13]([C:15](=[N:19][O:20][CH2:21][CH2:22][Cl:23])[C:16]([OH:18])=O)[N:14]=1)=[O:8].[NH2:24][CH:25]1[C:45](=[O:46])[N:27]2[C:28]([C:42]([OH:44])=[O:43])=[C:29]([CH2:32][S:33][C:34]3[N:38]([CH2:39][CH:40]=[CH2:41])[N:37]=[N:36][N:35]=3)[CH2:30][S:31][C@H:26]12>C(OCC)(=O)C.O>[CH3:1][N+:2]([CH3:5])=[CH:3][Cl:23].[Cl-:6].[CH:7]([NH:9][C:10]1[S:11][CH:12]=[C:13]([C:15](=[N:19][O:20][CH2:21][CH2:22][Cl:23])[C:16]([NH:24][CH:25]2[C:45](=[O:46])[N:27]3[C:28]([C:42]([OH:44])=[O:43])=[C:29]([CH2:32][S:33][C:34]4[N:38]([CH2:39][CH:40]=[CH2:41])[N:37]=[N:36][N:35]=4)[CH2:30][S:31][C@H:26]23)=[O:18])[N:14]=1)=[O:8]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

8

반응물 4

HCID 312ChlorideHCID 6228DimethylformamideHCID 539721442-(2-Formamidothiazol-4-yl)-2-(2-chloroethoxyimino)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 131715322
7-[2-(2-formamidothiazol-4-yl)-2-(2-chloroethoxyimino)acetamido]-3-(1-allyl-1H-tetrazol-5-yl)thiomethyl-3-cephem-4-carboxylic acid
수율 83.4%

시약·촉매·용매 2

HCID 962Water용매HCID 8857Ethyl Acetate용매3회

실험 절차

Vilsmeier reagent was prepared from dry N,N-dimethylformamide (0.3 g.) and phosphory chloride (0.5 g.) in dry ethyl acetate (1.2 ml.) in a usual manner. 2-(2-Formamidothiazol-4-yl)-2-(2-chloroethoxyimino)acetic acid (syn isomer, 0.9 g.) and dry ethyl acetate (10 ml.) were added to the mixture under ice-cooling and then stirred at the same temperature for 30 minutes. [Solution A]Trimethylsilylacetamide (2.9 g.) was added to a solution of 7-amino-3-(1-allyl-1H-tetrazol-5-yl)thiomethyl-3-cephem-4-carboxylic acid (1.0 g.) in dry ethyl acetate (20 ml.) and stirred at 40° C. for 30 minutes. To the solution was added the solution A at -10° C. and stirred at -5°to -10° C. for an hour. Water was added to the resultant solution and the organic layer was separated. Water was added to the organic layer and adjusted to pH 7.0 with sodium carbonate. The aqueous layer was separated, washed with ethyl acetate and adjusted to pH 4.5 with 10% hydrochloric acid. The solution was extracted with ethyl acetate. The extract was washed with a sodium chloride saturated aqueous solution, dried over magnesium sulfate and concentrated in vacuo. The residue was pulverized with diisopropyl ether. The precipitates were collected by filtration, washed with diisopropyl ether and dried to give 7-[2-(2-formamidothiazol-4-yl)-2-(2-chloroethoxyimino)acetamido]-3-(1-allyl-1H-tetrazol-5-yl)thiomethyl-3-cephem-4-carboxylic acid (syn isomer, 0.83 g.).

후처리

  1. temperaturecooling
  2. stirringstirred at 40° C. for 30 minutes
  3. stirringstirred at -5°to -10° C. for an hour
  4. customthe organic layer was separated
  5. additionWater was added to the organic layer and adjusted to pH 7.0 with sodium carbonate
  6. customThe aqueous layer was separated
  7. washwashed with ethyl acetate
  8. extractionThe solution was extracted with ethyl acetate
  9. washThe extract was washed with a sodium chloride saturated aqueous solution
  10. dry with materialdried over magnesium sulfate
  11. concentrationconcentrated in vacuo
  12. filtrationThe precipitates were collected by filtration
  13. washwashed with diisopropyl ether
  14. customdried

출처 및 근거

ORD 기록
ord-b3edc3e410a14f5fb5177a1aa170de53
출처 데이터셋
uspto-grants-1987_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US04698337

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트