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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Acetonitrile → (6R,7R)-7-(2-Amino-4-thiazoleglyoxylamido)-3-[[(5-(3,4-dihydroxyphenyl)-2-phenyl-4-pyrimidinyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

HRID 1755852
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HRID 1755852 반응식
[NH2:1][C@@H:2]1[C:9](=[O:10])[N:8]2[C@@H:3]1[S:4][CH2:5][C:6]([CH2:14][S:15][C:16]1[C:21]([C:22]3[CH:27]=[CH:26][C:25]([OH:28])=[C:24]([OH:29])[CH:23]=3)=[CH:20][N:19]=[C:18]([C:30]3[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=3)[N:17]=1)=[C:7]2[C:11]([OH:13])=[O:12].[OH-:36].[K+].[C:38](#[N:40])[CH3:39]>O>[NH2:8][C:3]1[S:4][CH:39]=[C:38]([C:9](=[O:10])[C:2]([NH:1][C@@H:2]2[C:9](=[O:10])[N:8]3[C@@H:3]2[S:4][CH2:5][C:6]([CH2:14][S:15][C:16]2[C:21]([C:22]4[CH:27]=[CH:26][C:25]([OH:28])=[C:24]([OH:29])[CH:23]=4)=[CH:20][N:19]=[C:18]([C:30]4[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=4)[N:17]=2)=[C:7]3[C:11]([OH:13])=[O:12])=[O:36])[N:40]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 6342AcetonitrileHCID 14797Potassium HydroxideHCID 54291490(6R,7R)-7-Amino-3-[[[5-(3,4-dihydroxyphenyl)-2-phenyl-4-pyrimidinyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

생성물 1

HCID 86748843(6R,7R)-7-(2-Amino-4-thiazoleglyoxylamido)-3-[[(5-(3,4-dihydroxyphenyl)-2-phenyl-4-pyrimidinyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

시약·촉매·용매 1

HCID 962Water용매

실험 절차

(6R,7R)-7-Amino-3-[[[5-(3,4-dihydroxyphenyl)-2-phenyl-4-pyrimidinyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (1.02 g) (2 mmol) are suspended in 25 ml of water and 25 ml of acetonitrile. While stirring there are added dropwise thereto at 0° C. 27 ml of 0.1N aqueous potassium hydroxide and the solution is treated portionwise with 1.0 g (3 mmol) of 2-amino-4-thiazolethioglyoxylic acid S-(2-benzothiazolyl) ester. The mixture is stirred at 0° C. for 1 hour and at 15°-20° C. for 2 hours. The suspension is now filtered and filter material is washed with water. The mother liquor and wash solution are combined, washed with ethyl acetate and finally acidified (pH~4) with dilute, aqueous hydrochloric acid. The precipitated product is filtered off under suction and washed in succession with water and diethyl ether. After drying in a high vacuum at room temperature there is obtained 0.5 g of (6R,7R)-7-(2-amino-4-thiazoleglyoxylamido)-3-[[(5-(3,4-dihydroxy-phenyl)-2-phenyl-4-pyrimidinyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid as a yellow powder.

후처리

  1. additionare added dropwise
  2. customat 0° C
  3. stirringThe mixture is stirred at 0° C. for 1 hour and at 15°-20° C. for 2 hours
  4. filtrationThe suspension is now filtered
  5. filtrationfilter material
  6. washis washed with water
  7. washThe mother liquor and wash solution
  8. washwashed with ethyl acetate
  9. additionwith dilute
  10. filtrationThe precipitated product is filtered off under suction
  11. washwashed in succession with water and diethyl ether
  12. customAfter drying in a high vacuum at room temperature

출처 및 근거

ORD 기록
ord-4451f8d02abd48bb839121ce84837c30
출처 데이터셋
uspto-grants-1995_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US05438052

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