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Chemical Structure| 115665-92-4 Chemical Structure| 115665-92-4

Structure of 115665-92-4

Chemical Structure| 115665-92-4

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Product Details of [ 115665-92-4 ]

CAS No. :115665-92-4
Formula : C11H9F3O
M.W : 214.18
SMILES Code : CC(/C=C/C1=CC=C(C(F)(F)F)C=C1)=O
MDL No. :MFCD00052848
InChI Key :PHVQEHOBDSECPV-NSCUHMNNSA-N
Pubchem ID :5708853

Safety of [ 115665-92-4 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338

Application In Synthesis of [ 115665-92-4 ]

* 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 [ 115665-92-4 ]

[ 115665-92-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 50-00-0 ]
  • [ 80567-00-6 ]
  • [ 115665-92-4 ]
  • 5-(2,6-dimethylmorpholinyl)-1-(4-trifluoromethylphenyl)-1-penten-3-one hydrochloride [ No CAS ]
YieldReaction ConditionsOperation in experiment
33.16% 0.165g (1.1mmol) of <strong>[80567-00-6]2,6-dimethylmorpholine hydrochloride</strong> and 0.3g (10mmol) of paraformaldehyde were dissolved in anhydrous ethanol (5ml). The pH value of the solution was adjusted to pH =1.5-2.0 with concentrated hydrochloric acid and the reaction mixture was refluxed and stirred for 1hr. After the solid was dissolved, 0.214g (1.0mmol) of 4-(4-trifluoromethylphenyl)-3-buten-2-one (prepared as described in preparation 16) was added to the above reaction mixture. The solution was further refluxed and stirred for 12hr. After cooling with ice-water bath, the precipitated pale yellow solid was collected by filtration and then recrystallized from anhydrous ethanol and dried to give 0.125g of white crystals, yield: 33.16 %, mp: 203-205C . 1HNMRδppm (DMSO-d6): 1.09(d, 6H, J=6.6Hz, 2CH3-CH), 2.47-2.68(m, 6H, 3NCH2), 3.33-3.43(m, 2H, COCH2), 3.85(q, 2H, J=6.6Hz, 2CH3-CH), 7.04(d, 1H, J=16.2Hz, =CHCO), 7.759(d, 1H, J=16.2Hz, CH=), 7.819(d, 2H, J=8.4Hz, ArHAA'), 7.955(d, 2H, J=8.4Hz, ArHBB')o FAB-MS (m/z): 342.2(M++1 ), 274.2(M+-F3C+1), 128.4(M+-213).
 

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