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Chemical Structure| 125422-83-5 Chemical Structure| 125422-83-5

Structure of 125422-83-5

Chemical Structure| 125422-83-5

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Product Details of [ 125422-83-5 ]

CAS No. :125422-83-5
Formula : C7H14BrNO
M.W : 208.10
SMILES Code : BrCCCN1CCOCC1
MDL No. :MFCD09998837

Safety of [ 125422-83-5 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 125422-83-5 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 125422-83-5 ]

[ 125422-83-5 ] Synthesis Path-Downstream   1~2

  • 1
  • C9H6N2O3(2-)*2Na(1+) [ No CAS ]
  • [ 125422-83-5 ]
  • [ 199327-61-2 ]
YieldReaction ConditionsOperation in experiment
93.8% With 1-butyl-3-methylimidazolium Tetrafluoroborate; In tetrahydrofuran; at 65 - 70℃; for 5h; The compound of Formula III disodium salt (7.1g, 30mmol) in 20mL THF was followed by the addition fo 5percent [Bmim]BF4 and the addition of Formula IV (X=Br) (7.5g, 36mmol) and was heated to about 65-70°C for 5.0 hours. The reaction mixture was suction filtered to remove the resulting white solid NaBr. The solvent was distilled THF and was added with 20mL distilled water. 0.5M hydrochloric acid was added to adjust to pH to 6-7 and stirred at room temperature. The water vapor was distilled off and Formula 1 was obtained (9.0g, 93.8percent yield).
  • 2
  • [ 574745-97-4 ]
  • [ 367-21-5 ]
  • [ 125422-83-5 ]
  • [ 184475-35-2 ]
YieldReaction ConditionsOperation in experiment
5.8 g With potassium carbonate; In N,N-dimethyl-formamide; at 90℃; for 3h; Example 1: One kind of gefitinib preparation method, the steps of: three-necked flask 2.0gDMF, 30mL thionyl chloride and 2.9g of raw materials 1 (quinazolin-4-one, 20mmol), was heated to 80 reaction was stirred 3h.After the reaction, the solvent was distilled off under reduced pressure and the unreacted chlorinating agent, to the residue was added 20mL of toluene, concentrated under reduced pressure, was repeated three times.The resulting solid was dissolved in 250mLDMF, followed by adding 8.3gK2CO3, 6.2g side chain 3 (bromopropyl morpholino) side chains and 4.4g 4 (fluorochloroaniline), heated to 90 reaction was stirred 3h.After completion of the reaction, cooled to room temperature, stirring slowly added 1000mL of water, stirring was continued for 2h, after filtration and drying was 6g gefitinib crude.The crude product is recrystallized from ethyl acetate to give 5.8g white powder gefitinib
 

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