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Methylparaben → 4-(2-methoxy-2-oxoethoxy)benzoic acid

HRID 1722615
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HRID 1722615 반응식
[Na].C[O:3][C:4]([C:6]1[CH:7]=[CH:8][C:9]([OH:12])=[CH:10][CH:11]=1)=[O:5].BrCCC[CH2:17][C:18]([O:20][CH3:21])=[O:19].BrCC(OC)=O.Br[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][C:36]([O:38][CH3:39])=[O:37]>CO>[C:4]([C:6]1[CH:7]=[CH:8][C:9]([O:12][CH2:17][C:18]([O:20][CH3:21])=[O:19])=[CH:10][CH:11]=1)([OH:3])=[O:5].[C:4]([C:6]1[CH:7]=[CH:8][C:9]([O:12][CH:35]([CH2:34][CH2:33][CH2:32][CH2:31][CH2:30][CH3:29])[C:36]([O:38][CH3:39])=[O:37])=[CH:10][CH:11]=1)([OH:3])=[O:5]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

8

반응물 5

HCID 7456MethylparabenHCID 60984Methyl bromoacetateHCID 79557Methyl 5-bromovalerateHCID 5360545Sodium2회HCID 11107373Methyl 8-bromooctanoate

생성물 2

HCID 138161424-(2-methoxy-2-oxoethoxy)benzoic acid수율 85%
HCID 20026967
Methyl p-carboxyphenoxyoctanoate
수율 75%

시약·촉매·용매 1

HCID 887Methanol용매2회

실험 절차

Freshly cut sodium metal (5.98 g, 0.26 mole) was gradually introduced into 150 ml of dry methanol in a 1000 ml flask equipped with a stirrer, and a reflux condenser with a drying tube. Upon complete solution of the sodium, first, 39.56 g (0.26 mole) of methyl p-hydroxybenzoate in 100 ml of methanol and later 50.0 g (0.26 mole) of methyl 5-bromovalerate were added rapidly. The reaction was allowed to reflux for 78 hours. After 78 hours of refluxing precipitated material was removed by filtration. The diester was precipitated upon pouring the solution into an ice water mixture. A clear powdery white precipitate was obtained, and filtered from the remaining solution. The precipitate was dried overnight, and weighed to obtain 58.35 g (84% yield). Methyl p-carboxyphenoxyacetate (CPA), (85% yield), and methyl p-carboxyphenoxyoctanoate (CPO) (75% yield) were prepared similarly using methyl bromoacetate, and methyl 8-bromooctanoate, respectively. The data analysis of the esters is described in Table 1. The methyl esters were then hydrolyzed to the corresponding diacids as follows:

후처리

  1. customequipped with a stirrer, and a reflux condenser with a drying tube
  2. temperatureto reflux for 78 hours
  3. temperatureAfter 78 hours of refluxing
  4. customprecipitated material
  5. customwas removed by filtration
  6. customThe diester was precipitated
  7. additionupon pouring the solution into an ice water mixture
  8. customA clear powdery white precipitate was obtained
  9. filtrationfiltered from the remaining solution
  10. customThe precipitate was dried overnight
  11. customto obtain 58.35 g (84% yield)

출처 및 근거

ORD 기록
ord-16e4d01e509b481496afec4f5294312e
출처 데이터셋
uspto-grants-1989_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US04857311

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