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[ CAS No. 53090-43-0 ]

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Chemical Structure| 53090-43-0
Chemical Structure| 53090-43-0
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CAS No. :53090-43-0 MDL No. :MFCD03424830
Formula : C11H10Cl2O3 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W :261.10 g/mol Pubchem ID :2758176
Synonyms :

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Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 53090-43-0 ]

  • Upstream synthesis route of [ 53090-43-0 ]
  • Downstream synthetic route of [ 53090-43-0 ]

[ 53090-43-0 ] Synthesis Path-Upstream   1~4

  • 1
  • [ 51-44-5 ]
  • [ 6148-64-7 ]
  • [ 53090-43-0 ]
YieldReaction ConditionsOperation in experiment
73%
Stage #1: With 1,1'-carbonyldiimidazole In tetrahydrofuran at 25℃; for 4 h;
Stage #2: With triethylamine; magnesium chloride In tetrahydrofuran; acetonitrile at 20℃; for 2 h;
CDI (41.5 g, 290.32 mmol, 3.70 equiv) was added to a solution of 3,4- dichlorobenzoic acid (15 g, 78.53 mmol, 1.00 equiv) in tetrahydrofuran (200 mL), The resulting solution was stirred for 4 h at 25°C. Separately, to a solution of potassium 3-ethoxy-3-oxopropanoate (37.7 g, 235 mmol, 3.00 equiv) in CH3CN (400 mL) was added MgCl2 (33.5 g, 353 mmol, 4.5 equiv) and triethylamine (23.8 g, 235 mmol, 3.00 equiv). The two solutions were combined and stirred for 2 h at room temperature. The resulting mixture was concentrated under vacuum. The residue was diluted with 200 mL of water. The pH of the solution was adjusted to pH 5 with HC1 (1M). The resulting solution was extracted with 4x50 mL of ethyl acetate and the organic layers were combined and dried over magnesium sulfate. The organics were concentrated in vacuo and purified by silica gel column chromatography with petroleum ether/ethyl acetate (50: 1). This resulted in 15 g (73percent) of ethyl 3-(3,4-dichlorophenyl)-3-oxopropanoate as a colorless oil
Reference: [1] Patent: WO2014/66795, 2014, A1, . Location in patent: Paragraph 0175
  • 2
  • [ 6148-64-7 ]
  • [ 3024-72-4 ]
  • [ 53090-43-0 ]
Reference: [1] Synlett, 2003, # 3, p. 353 - 356
[2] Synthesis, 1993, # 3, p. 290 - 292
  • 3
  • [ 141-78-6 ]
  • [ 3024-72-4 ]
  • [ 53090-43-0 ]
Reference: [1] Journal of Medicinal Chemistry, 2017, vol. 60, # 22, p. 9184 - 9204
  • 4
  • [ 1071-46-1 ]
  • [ 3024-72-4 ]
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Reference: [1] Journal of Organic Chemistry, 1979, vol. 44, # 2, p. 310 - 311
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