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[ CAS No. 1150114-81-0 ]

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Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 1150114-81-0
Chemical Structure| 1150114-81-0
Structure of 1150114-81-0 *Storage: {[proInfo.prStorage]}

Quality Control of [ 1150114-81-0 ]

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Alternatived Products of [ 1150114-81-0 ]

Product Details of [ 1150114-81-0 ]

CAS No. :1150114-81-0MDL No. :MFCD12025999
Formula : C9H6BrF3O3 Boiling Point : -
Linear Structure Formula :-InChI Key :N/A
M.W :299.04Pubchem ID :-
Synonyms :

Computed Properties of [ 1150114-81-0 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 1150114-81-0 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1150114-81-0 ]

  • Downstream synthetic route of [ 1150114-81-0 ]

[ 1150114-81-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1150114-81-0 ]
  • [ 4612-28-6 ]
  • dimethyl 4,4''-bis(trifluoromethoxy)-[1,1':3’,1''-terphenyl]-2,2''-dicarboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With potassium phosphate; tetrakis(triphenylphosphine) palladium(0); In ethanol; water; toluene; at 60℃;Inert atmosphere; Methyl 2-bromo-5-(trifluoromethoxy)benzoate (63.5 g, 212.4 mmol), 1 ,3- phenylenediboronic acid (16.0 g, 96.5 mmol) and K3PO4(88.9 g, 386.1 mmol) are dissolved in toluene (700 ml)/ethanol (420 ml)/water (280 ml) under argon. The solution is degassed and Pd(PP i3)4 (5.57 g, 4.83 mmol) is added. The mixture is heated up to 60 C over night. After cooling to room temperature, the solution is poured into water (300 ml) with vigorous stirring. The layers are separated and the aqueous layer is extracted with toluene (2x100 ml) and dichloromethane (100 ml). The combined organic layers are washed with brine (150 ml) and dried over MgSO4. The solvent is evaporated in vacuo. The crude product is purified via silica column chromatography using ethyl acetate/heptane (1 :4) as eluent. The product is obtained as yellow glue (51 .3 g, quant, with some impurities).1 H NMR (CDCIs, 500 MHz): delta = 3.69 (s, 6H, COOCHs), 7.21 -7.22 (m, 1 H, H-2'), 7.30 (dd, 2H,3J = 7.3 Hz,4J = 1 .7 Hz, H-5,5"), 7.37-7.40 (m, 2H, H- 4',6'), 7.41 -7.45 (m, 3H, H-6,6", H-5), 7.71 (d, 2H,4J = 1 .6 Hz, H-3,3") ppm GC-MS (El, 70 eV) = 514 (60%), 451 (100%), 423 (25%), 326 (20%)
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