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Chemical Structure| 960491-87-6 Chemical Structure| 960491-87-6

Structure of 960491-87-6

Chemical Structure| 960491-87-6

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Product Details of [ 960491-87-6 ]

CAS No. :960491-87-6
Formula : C11H12F3NO
M.W : 231.21
SMILES Code : FC(C1=CC=CC=C1O[C@@H]2CNCC2)(F)F
MDL No. :MFCD11867893

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Application In Synthesis of [ 960491-87-6 ]

* 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 [ 960491-87-6 ]

[ 960491-87-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 960491-87-6 ]
  • [ 65202-50-8 ]
  • methyl 6-{(3S)-3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl}pyridazine-3-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With tetra-(n-butyl)ammonium iodide; potassium carbonate; In 1,4-dioxane; at 90 - 95℃; for 24h; Step 2; Methyl 6-(G-?)-3-r2-(trifluoromethyl)phenoxylpyrrolidin-l-vpipyridazine-3-carboxylate; A mixture of <strong>[65202-50-8]methyl 6-chloropyridazine-3-carboxylate</strong> (1.1 g, 6.4 mmol), (35)-3-[2- (trifluoromethyl)phenoxy]pyrrolidine (1.6 g, 6.9 mmol), potassium carbonate (1.8 g, 12.7 mmol) and tetrabutylammonium iodide (47 mg, 0.13 mmol) in dioxane (60 mL) was heated at 90-95 0C bath for 24 h. After cooling, the mixture was filtered through celite, washed with EtOAc and concentrated. The residue was re-dissolved in EtOAc, washed twice with water, dried and concentrated in vacuo, and swished with Et2O:hexane to give the title compound as a brown powder. EPO <DP n="71"/>1H NMR (500 MHz, acetone-d6): delta 7.88 (d, 1 H), 7.69-7.63 (m, 2 H), 7.43 (d, 1 H), 7.15 (t, 1 H), 6.96 (d, 1 H), 5.53 (s, 1 H), 4.00 (m, 3H), 3.90 (s, 3 H), 3.75 (m, 1 H), 2.54-2.44 (m, 2 H).
 

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