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Chemical Structure| 75945-91-4 Chemical Structure| 75945-91-4

Structure of 75945-91-4

Chemical Structure| 75945-91-4

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Product Details of [ 75945-91-4 ]

CAS No. :75945-91-4
Formula : C13H14O3
M.W : 218.25
SMILES Code : O=C(C1(C2=CC=CC=C2)CCC(CC1)=O)O
MDL No. :MFCD06208311

Safety of [ 75945-91-4 ]

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

Application In Synthesis of [ 75945-91-4 ]

* 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 [ 75945-91-4 ]

[ 75945-91-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 32707-89-4 ]
  • [ 75945-91-4 ]
  • [ 374819-27-9 ]
YieldReaction ConditionsOperation in experiment
40% Oxalyl chloride (4.8 mL, 55 mmol) was added to a solution of 4-oxo-1-phenylcyclohexanecarboxylic acid (Description 2, 6 g, 27 mmol) and dimethylformamide (1 drop) in toluene (150 mL) and the mixture was stirred at room temperature for 2 hours. The solvent was evaporated under reduced pressure and toluene was added. The solvent was evaporated under reduced pressure and the residue was dissolved in toluene (100 mL). 3,5-Bis(trifluoromethyl)benzenemethanol (6.25 g, 26 mmol) and 4-dimethylaminopyridine (3.62 g, 30 mmol) were added and the mixture was heated under reflux for 24 hours. The solvent was evaporated under reduced pressure and the residue was partitioned between ethyl acetate (100 mL) and hydrochloric acid (2M, 100 mL). The organic layer was dried (MgSO4) and the solvent was evaporated under reduced pressure. The residue was purified by flash column chromatography on silica gel, eluding with isohexane/CH2Cl2 (60:40 increasing to 50:50) to give the title compound (4.5 g, 40%). 1H NMR (360 MHz, CDCl3) delta2.33-2.53 (6H, m), 2.72-2.77 (2H, m), 5.23 (2H, s), 7.28-7.41 (5H, m), 7.51 (2H, s), and 7.77 (1H, s).
 

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