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Chemical Structure| 40018-10-8 Chemical Structure| 40018-10-8

Structure of 40018-10-8

Chemical Structure| 40018-10-8

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Product Details of [ 40018-10-8 ]

CAS No. :40018-10-8
Formula : C10H6F3NO
M.W : 213.16
SMILES Code : N#CCC(C1=CC=CC=C1C(F)(F)F)=O
MDL No. :MFCD02260792
InChI Key :ULZOOHHGJMAKCY-UHFFFAOYSA-N
Pubchem ID :12630807

Safety of [ 40018-10-8 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H312-H315-H319-H332-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 40018-10-8 ]

* 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 [ 40018-10-8 ]

[ 40018-10-8 ] Synthesis Path-Downstream   1~1

  • 1
  • potassium cyanide [ No CAS ]
  • [ 54109-16-9 ]
  • [ 40018-10-8 ]
YieldReaction ConditionsOperation in experiment
In ethanol; water; at 20℃; Step 2; A solution of 26.04 g (0.40 mole) of potassium cyanide in 30 mL of water was added to a stirring solution of 27.00 g (0.10 mole) of 2-bromo-1-(2-trifluoromethyl-phenyl)-ethanone in 500 mL of ethanol. The mixture was stirred at room temperature overnight. Water and dichloromethane were added to the mixture. The mixture was then acidified with acetic acid (pH=5-6). The organic layer was separated, washed with brine, dried over anhydrous sodium sulfate and concentrated under reduced pressure. Recrystallization of the residue with ether and hexane gave 14.97 g of 3-oxo-3(2-trifluoromethyl-phenyl)-propionitrile.
 

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