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Chemical Structure| 690631-96-0 Chemical Structure| 690631-96-0

Structure of 690631-96-0

Chemical Structure| 690631-96-0

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Product Details of [ 690631-96-0 ]

CAS No. :690631-96-0
Formula : C17H19BF3NO2S
M.W : 369.21
SMILES Code : FC(C1=CC=C(C2=NC(C)=C(B3OC(C)(C)C(C)(C)O3)S2)C=C1)(F)F

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Application In Synthesis of [ 690631-96-0 ]

* 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 [ 690631-96-0 ]

[ 690631-96-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 615-37-2 ]
  • [ 690631-96-0 ]
  • [ 1105626-25-2 ]
YieldReaction ConditionsOperation in experiment
61.2% With caesium carbonate;tetrakis(triphenylphosphine) palladium(0); In water; 1,2-dichloro-ethane; at 80℃; for 3h; Preparation of 4-methyl-5-o-tolyl-2-(4-(trifluoromethyl)phenyl)thiazole (Example No.10); 4-methyl-5-(4,4,5,5-tetramethyl-l,3,2-dioxaborolan-2-yl)-2-(4-(trifluoromethyl)- phenyl)thiazole (186 mg, 0.505 mmol), Pd Tetrakis (31.8 mg, 0.028 mmol), Cesium carbonate (448 mg, 1.376 mmol) and l-iodo-2-methylbenzene (100 mg, 0.459 mmol) were weighed into a vial, to which DME (5 mL) and Water (2.5 mL) were added. The mixture was heated at 800C for 3 hours. The mixture was .diluted with DCM and washed with water (3x10 mL). The organic <n="164"/>layer was concentrated to dryness to give an yellow oil. The residue purified by flash chromatography (0-100% DCM/Heptane; RS-12 Si column) to give 4-methyl-5-o-tolyl-2-(4- (trifluoromethyl)phenyl)thiazole (93.6 mg, 0.281 mmol, 61.2% yield) as an oil. LCMS (Table, 1, Method a) R1 = 4.38 min, m/z 334.12 (M+H)+. 1H NMR (400 MHz, DMSCW6) δ 8.16 (d, J= 8.7, 2H), 7.87 (d, J = 8.2, 2H), 7.40 (d, J= 1.3, IH), 7.39 (d, J= 1.5, IH), 7.37 - 7.28 (m, 2H), 2.25 (s, 3H), 2.23 (s, 3H).
 

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