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Chemical Structure| 1104071-55-7 Chemical Structure| 1104071-55-7

Structure of 1104071-55-7

Chemical Structure| 1104071-55-7

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Product Details of [ 1104071-55-7 ]

CAS No. :1104071-55-7
Formula : C13H16BNO2S
M.W : 261.15
SMILES Code : CC1(C)C(C)(C)OB(C2=CC=C3C=NSC3=C2)O1

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Application In Synthesis of [ 1104071-55-7 ]

* 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 [ 1104071-55-7 ]

[ 1104071-55-7 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 877265-23-1 ]
  • [ 73183-34-3 ]
  • [ 1104071-55-7 ]
YieldReaction ConditionsOperation in experiment
56% With potassium acetate; tricyclohexylphosphine;tris-(dibenzylideneacetone)dipalladium(0); In 1,4-dioxane; at 110.0℃; for 0.5h;Sealed tube; Microwave irradiation; 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]isothiazole. To a mixture of <strong>[877265-23-1]6-bromobenzo[d]isothiazole</strong> (0.86 g, 4.0 mmol)(prepared as described in WO 2008/036308), potassium acetate (0.38 mL, 6.0 mmol), bis(pinacolato)diboron (1.3 g, 5.2 mmol), tris(dibenzylideneacetone)dipalladium (0) (0.18 g, 0.20 mmol), and tricyclohexylphosphine (0.12 g, 0.44 mmol) was added dioxane (5 mL). The resulting mixture was sealed and heated at 1 10C for 30 minutes under microwave irradiation. The mixture was cooled and passed through a short path of Celite, washing with DCM (3 x 10 mL). The combined organic phases were concentrated to give a residue that was purified by chromatography on silica gel (hexanes - 50 % EtOAc in hexanes) and triturat on with hexanes provided the product as a white powder (0.59 g, 56 %). LCMS (API-ES) m/z (%): 230.2 (100 %, M+H+); 1H NMR (400 MHz, CDCl3) delta ppm 8.95 (s, 1 H) 8.58 (s, 1 H) 7.91 - 8.02 (m, 2 H) 1.41 (s, 12 H).
 

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