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

1,2-Ethanediamine, N1,N2-bis(phenylmethyl)-, acetate (1:2) → 2-Methyl-2,3-methylene-6-[2-phenyl-2-(2-chlorophenoxy)acetamido]penam-3-carboxylic acid

HRID 1287330
노트
인쇄 미리보기

반응식

HRID 1287330 반응식
[CH3:1][C:2]12[CH2:15][C:6]1([C:7]([O:9]CC(Cl)(Cl)Cl)=[O:8])[N:5]1[C:16](=[O:36])[CH:17]([NH:18][C:19](=[O:35])[CH:20]([C:29]3[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=3)[O:21][C:22]3[CH:27]=[CH:26][CH:25]=[CH:24][C:23]=3[Cl:28])[C@H:4]1[S:3]2.C(O)(=O)C.C(O)(=O)C.[CH2:45]([NH:52][CH2:53][CH2:54][NH:55][CH2:56][C:57]1[CH:62]=[CH:61][CH:60]=[CH:59][CH:58]=1)[C:46]1[CH:51]=[CH:50][CH:49]=[CH:48][CH:47]=1>CN(C)C=O.C(O)(=O)C.CO.O.[Zn]>[CH2:45]([NH:52][CH2:53][CH2:54][NH:55][CH2:56][C:57]1[CH:62]=[CH:61][CH:60]=[CH:59][CH:58]=1)[C:46]1[CH:47]=[CH:48][CH:49]=[CH:50][CH:51]=1.[CH3:1][C:2]12[CH2:15][C:6]1([C:7]([OH:9])=[O:8])[N:5]1[C:16](=[O:36])[CH:17]([NH:18][C:19](=[O:35])[CH:20]([C:29]3[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=3)[O:21][C:22]3[CH:27]=[CH:26][CH:25]=[CH:24][C:23]=3[Cl:28])[C@H:4]1[S:3]2
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

9

반응물 2

HCID 312281,2-Ethanediamine, N1,N2-bis(phenylmethyl)-, acetate (1:2)HCID 681319712,2,2-Trichloroethyl 2-methyl-2,3-methylene-6-[2-phenyl-2-(2-chlorophenoxy)acetamido]penam-3-carboxylate

생성물 2

HCID 8793BenzathineHCID 155824092-Methyl-2,3-methylene-6-[2-phenyl-2-(2-chlorophenoxy)acetamido]penam-3-carboxylic acid수율 216%

시약·촉매·용매 5

HCID 23994
Zinc
촉매
HCID 176Acetic Acid용매
HCID 887Methanol용매2회
HCID 962Water용매
HCID 6228Dimethylformamide용매

실험 절차

To a solution of 2,2,2-trichloroethyl 2-methyl-2,3-methylene-6-[2-phenyl-2-(2-chlorophenoxy)acetamido]penam-3-carboxylate (1.18 g.) in a mixture of dimethylformamide (5 ml.) and acetic acid (1.5 ml.) was added zinc powder (1.2 g.) under ice-cooling, and the mixture was stirred for 1.5 hours. After the reaction, the residue (0.65 g.) obtained by post-treating the reaction mixture in the similar manner as described in Example 1 was dissolved in methanol (2 ml.) and a solution of N,N'-dibenzylethylenediamine diacetate (0.20 g.) in water (10 ml.) was added to the solution. Crystals obtained in this manner were dissolved in methanol and subjected to reprecipitation with water to give N,N'-dibenzylethylenediamine salt of 2-methyl-2,3-methylene-6-[2-phenyl-2-(2-chlorophenoxy)acetamido]penam-3-carboxylic acid (0.55 g.), mp 107° to 110°C (dec.)

후처리

  1. temperaturecooling
  2. customAfter the reaction
  3. customthe residue (0.65 g.) obtained
  4. additionby post-treating the reaction mixture in the similar manner
  5. customCrystals obtained in this manner
  6. customsubjected to reprecipitation with water

출처 및 근거

ORD 기록
ord-db632ec0447d41979d0fc0c130e957c1
출처 데이터셋
uspto-grants-1976_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US03984397

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트