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Chemical Structure| 1061358-71-1 Chemical Structure| 1061358-71-1

Structure of 1061358-71-1

Chemical Structure| 1061358-71-1

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Product Details of [ 1061358-71-1 ]

CAS No. :1061358-71-1
Formula : C14H11ClF3N3O
M.W : 329.71
SMILES Code : O=C(NC)C1=CC=CC=C1NC2=CC(Cl)=NC=C2C(F)(F)F
MDL No. :MFCD30186653

Safety of [ 1061358-71-1 ]

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 [ 1061358-71-1 ]

* 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.

  • Upstream synthesis route of [ 1061358-71-1 ]
  • Downstream synthetic route of [ 1061358-71-1 ]

[ 1061358-71-1 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 209960-91-8 ]
  • [ 1061358-71-1 ]
  • [ 1061353-68-1 ]
YieldReaction ConditionsOperation in experiment
46.7% With hydrogenchloride In 1,4-dioxane; water at 170℃; for 0.416667 h; microwave irradiation 2- { [2-Chloro-5 -(trifluoromethyl)-4-pyridinyl] amino } -N-methylbenzamide (Intermediate 1 , 50 mg, 0.152 mmol) and [2-(methyloxy)-4-(4-morpholinyl)phenyl]amine (148 mg,0.607 mmol) were combined with IM hydrochloric acid (0.303 mL, 0.303 mmol), 1,4- <n="29"/>dioxane (0.2 mL) and water (2.5 mL) in a microwave tube, then irradiated in a microwave oven at 170° C for 25 min. The resulting crude material was filtered and the filtrate was purified by reverse-phase HPLC to give the title compound (35.5 mg, 0.071 mmol, 46.7 percent yield). MS: M(C25H26F3N5O3) = 471.48, (M+H)+ = 472; IH NMR (400 MHz, METHANOL-d4) δ ppm 2.88 (s, 3 H), 3.05 - 3.14 (m, 4 H), 3.78 - 3.91 (m, 7 H), 6.45 (s, 1 H), 6.52 (dd, J=8.59, 2.53 Hz, 1 H), 6.64 (d, J=2.53 Hz, 1 H), 7.03 - 7.13 (m, 1 H), 7.30 (d, J=8.59 Hz, 1 H), 7.40 - 7.50 (m, 2 H), 7.61 (dd, J=7.83, 1.26 Hz, 1 H), 8.10 (s, 1 H).
References: [1] Patent: WO2009/105498, 2009, A1, . Location in patent: Page/Page column 27-28.
  • 2
  • [ 1061358-71-1 ]
  • [ 1061353-68-1 ]
References: [1] Patent: WO2012/12139, 2012, A1, . Location in patent: Page/Page column 27.
 

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