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Chemical Structure| 54550-36-6 Chemical Structure| 54550-36-6

Structure of 54550-36-6

Chemical Structure| 54550-36-6

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Product Details of [ 54550-36-6 ]

CAS No. :54550-36-6
Formula : C6H13BrO2
M.W : 197.07
SMILES Code : CCOCCOCCBr
MDL No. :MFCD00051920
InChI Key :UEDIWIFQWRXXJG-UHFFFAOYSA-N
Pubchem ID :7015324

Safety of [ 54550-36-6 ]

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

Application In Synthesis of [ 54550-36-6 ]

* 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 [ 54550-36-6 ]

[ 54550-36-6 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 6086-21-1 ]
  • [ 54550-36-6 ]
  • N-2-(2-ethoxyethoxy)ethyl-N-methyltriazolium bromide [ No CAS ]
  • 2
  • [ 60-29-7 ]
  • [ 54550-36-6 ]
  • [ 403-01-0 ]
  • [ 584-08-7 ]
  • [ 117420-32-3 ]
YieldReaction ConditionsOperation in experiment
In dichloromethane; acetonitrile; PART A -- Preparation of methyl 3-fluoro-4-[2-(2-ethoxyethoxy)-ethoxy]-benzoate. Into a 500-ml, round-bottom flask equipped with a magnetic stirrer, heating mantle and condenser were placed 5.7 g (33.5 mmol) <strong>[403-01-0]methyl 3-fluoro-4-hydroxybenzoate</strong>, 8.5 g (43.2 mmol) 1-bromo-2-(2-ethoxyethoxy)-ethane, 23.2 g of powdered anhydrous potassium carbonate and 350 ml acetonitrile. After stirring the reaction mixture under reflux for four hours, TLC analysis showed that none of the phenolic starting material remained. Three hundred ml of the acetonitrile was then distilled off and 300 ml dichloromethane was added. The reaction mixture was filtered through Celite and the solids were washed thoroughly with dichloromethane. Evaporation of the filtrate yielded product in the form of a yellow oil. Purification by flash chromatography on silica gel with 4percent ethyl ether in dichloromethane, followed by low temperature recrystallization from pentane, yielded 0.55 g of white crystals, 89percent, m.p. 33-36.5°C. The structure was confirmed by infrared, nuclear magnetic resonance and mass spectral analyses.
 

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