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[ CAS No. 114780-06-2 ]

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Chemical Structure| 114780-06-2
Chemical Structure| 114780-06-2
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Product Details of [ 114780-06-2 ]

CAS No. :114780-06-2 MDL No. :MFCD06655680
Formula : C8H9ClN2O Boiling Point : 323.5°C at 760 mmHg
Linear Structure Formula :- InChI Key :-
M.W :184.62 g/mol Pubchem ID :4962252
Synonyms :

Safety of [ 114780-06-2 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H319-H317 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 114780-06-2 ]

  • Upstream synthesis route of [ 114780-06-2 ]
  • Downstream synthetic route of [ 114780-06-2 ]

[ 114780-06-2 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 114780-06-2 ]
  • [ 123-30-8 ]
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  • [ 284462-37-9 ]
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YieldReaction ConditionsOperation in experiment
70%
Stage #1: With potassium <i>tert</i>-butylate In N,N-dimethyl-formamide at 20℃; for 1 h;
Stage #2: With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 4 h; Inert atmosphere
[0137] A solution of 4-aminophenol (256 mg, 2.35 mmol) in dry N,Ndimethylformamide (40 mL) was treated with potassium tert-butoxide (274 mg, 2.44 mmol), and the reddish-brown mixture was stirred at room temperature for 1 hour. The contents were treated with 3a and 3b (400 mg, 2.35 mmol) and potassium carbonate (974 mg, 7.05 mmol) and then heated to 80 °C under argon for 4 h. The mixture was cooled to room temperature and poured into ethyl acetate (100 mL) and brine (400 mL). The combined organics were washed with brine, dried over sodium sulfate, and concentrated. The crude reaction mixture was purified by column chromatography (dichloromethane/methanol) to afford the desired 4-(4-aminophenoxy)-N- methylpyridine-2-carboxamide 4a (400 mg, 1 .65 mmol, 70percent) and 4-(4- aminophenoxy)-N,N-dimethylpyridine-2-carboxamide (69percent) 4b after column as a light-brown solid.
Reference: [1] Patent: WO2015/51149, 2015, A1, . Location in patent: Paragraph 0133; 0137; 0138; 0139
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