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Structure of 171364-86-6

Chemical Structure| 171364-86-6

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Product Details of [ 171364-86-6 ]

CAS No. :171364-86-6
Formula : C14H17BO2S
M.W : 260.16
SMILES Code : CC1(C)OB(OC1(C)C)C1=CSC2=C1C=CC=C2
MDL No. :MFCD11110552
InChI Key :LTSGSDOTQABJMA-UHFFFAOYSA-N
Pubchem ID :10658979

Safety of [ 171364-86-6 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H312-H332
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501

Application In Synthesis of [ 171364-86-6 ]

* 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 [ 171364-86-6 ]

[ 171364-86-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 171364-86-6 ]
  • [ 175205-81-9 ]
  • 2-(benzo[b]thiophen-3-yl)-4-(trifluoromethyl)pyridine [ No CAS ]
YieldReaction ConditionsOperation in experiment
89.8% With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium phosphate tribasic trihydrate; In N,N-dimethyl-formamide; at 100℃; for 10h;Inert atmosphere; General procedure: Toa degassed solution of <strong>[175205-81-9]2-bromo-4-(trifluoromethyl)pyridine</strong> (500 mg,2.21 mmol) and the corresponding boric acid (1.2 equiv) or boric acidester (SM-4, 1.2 equiv) in dry DMF (10 mL) were added Pd(dppf)Cl2(50 mg) and K3PO4*3H2O (1.18 g, 4.42 mmol). After 10 h heating at100 °C, the reaction mixture was cooled to room temperature, dilutedwith EtOAc (50 mL) and filtered through a pad of Celite. The filtratewas washed with H2O and brine. After the solvent was removed, theresidue was purified by column chromatography on silica gel, elutedwith EtOAc/hexanes (1:50, v/v) to give corresponding cyclometalatedligands
 

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