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Chemical Structure| 209688-24-4 Chemical Structure| 209688-24-4

Structure of 209688-24-4

Chemical Structure| 209688-24-4

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Product Details of [ 209688-24-4 ]

CAS No. :209688-24-4
Formula : C14H16F3NO4
M.W : 319.28
SMILES Code : O=C(OC)C1=CC(C(F)(F)F)=CC=C1NC(OC(C)(C)C)=O
MDL No. :MFCD15526897

Safety of [ 209688-24-4 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319
Precautionary Statements:P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

Application In Synthesis of [ 209688-24-4 ]

* 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 [ 209688-24-4 ]

[ 209688-24-4 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 117324-58-0 ]
  • [ 24424-99-5 ]
  • [ 209688-24-4 ]
YieldReaction ConditionsOperation in experiment
49% With triethylamine; In dichloromethane; at 20℃; for 72h; Step 2. Preparation of Methyl-3-trifluoromethyl-2-t-butoxycarbonylaminobenzoate. Add di-t-butyl dicarbonate (2.0 g, 9.1 mmol) to a solution of methyl-3- trifluoromethyl-2-aminobenzoate (2.0 g, 9.1 mmol) in dichloromethane (20 mL). To this mixture, add triethylamine (9.1 mmol) and stir at room temperature under an atmosphere of nitrogen for 72 h. Dilute the reaction with dichloromethane (100 mL) and wash with water (100 mL x 2). Dry the separated organic phase over sodium sulfate, filter, and remove solvent under vacuum. Chromatograph the product on silica gel using hexane/ethyl acetate (gradient, 2-10 % ethyl acetate/hexane) to elute. This provides the title compound as a colorless solid (1.43 g, 49%) : H NMR (CDCl3, 400 MHz) 8 1.54 (s, 9H), 3.99 (s, 3H), 7.75 (dd, J = 2.0, 9.2 Hz, 1H), 8.30 (d, J = 1.6 Hz, 1H), 8.64 (d, J = 9.2 Hz), 10.48 (s, 1H).
  • 2
  • [ 209688-24-4 ]
  • [ 144-55-8 ]
  • [ 117324-58-0 ]
YieldReaction ConditionsOperation in experiment
With trifluoroacetic acid; In dichloromethane; REFERENCE EXAMPLE 28 Methyl 2-Amino-5-trifluoromethylbenzoate To a solution of methyl 2-t-butoxycarbonylamino-5-trifluoromethylbenzoate (3.80 g; prepared in Reference Example 27.) in methylene chloride (30 ml), trifluoroacetic acid (6 ml) was added. The mixture was stirred for 8 hours at room temperature. The solvent was distilled off azeotropically with toluene three times. To the reaction mixture, an aqueous sodium hydrogencarbonate solution was added to neutralize. The mixture was extracted with ethyl acetate, washed, dried, filtered and concentrated under the reduced pressure. The residue was purified on silica gel column chromatography (hexane:AcOEt 5:1) to give the title compound (2.35 g) having the following physical data. TLC: Rf 0.20 (hexane:AcOEt=5:1).
 

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