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Chemical Structure| 1204737-93-8 Chemical Structure| 1204737-93-8

Structure of 1204737-93-8

Chemical Structure| 1204737-93-8

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Product Details of [ 1204737-93-8 ]

CAS No. :1204737-93-8
Formula : C11H11F3O3
M.W : 248.20
SMILES Code : CC(C)C(C1=CC=C(O)C(C(F)(F)F)=C1O)=O
MDL No. :MFCD11846155

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Application In Synthesis of [ 1204737-93-8 ]

* 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 [ 1204737-93-8 ]

[ 1204737-93-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1204737-93-8 ]
  • [ 123986-64-1 ]
  • [ 1204738-53-3 ]
YieldReaction ConditionsOperation in experiment
78% Preparation 152 1-[4-(4-Aminomethyl-benzyloxy)-2-hydroxy-3-trifluoromethyl-phenyl]-2-methyl-propan-1-one hydrochloride Mechanically stir solutions of 1-(2,4-dihydroxy-3-trifluoromethyl-phenyl)-2-methyl-propan-1-one (211 g, 850.1 mmol), <strong>[123986-64-1](4-hydroxymethyl-benzyl)-carbamic acid tert-butyl ester</strong> (195 g, 821.8 mmol), and triphenylphosphine (212 g; 808.3 mmol) in toluene (9 L) in two separate 22-L Morton flasks. Treat solutions with diisopropyl azodicarboxylate (183 mL, 923 mmol) over a 60 min period, then stir over the weekend at room temperature. Combine the solutions and evaporate to a brown oil. Dissolve the oil in 1,4-dioxane (8 L), treat with 4N hydrogen chloride solution in 1,4-dioxane (3 L, 12 mole), and heat to 92° C. for 6 hrs (out-gassing and precipitation is observed at 52° C. during the warm up period). Cool to room temperature, filter the resulting solid and wash with dioxane, 30percent dioxane in hexanes, and hexanes to provide the title compound (510 g, 78percent yield) as a tan solid. HPLC Rt=4.71 min; 1H NMR (DMSO-d6) delta 14.00 (s, 1H), 8.4 (bs, 3H), 7.50 (ABq, J=12.0, 8.0 Hz, 4H), 6.92 (d, J=8.0 Hz, 1H), 5.37 (s, 2H), 4.0 (m, 2H), 3.73 (hept, J=4.0 Hz, 1H), 1. 12 (d, J=4.0 Hz, 6H); 19F NMR (DMSO-d6) delta-54.10; MS (m/z): 368.0 (M+1).
 

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