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[ CAS No. 1187055-94-2 ] {[proInfo.proName]}

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Chemical Structure| 1187055-94-2
Chemical Structure| 1187055-94-2
Structure of 1187055-94-2 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1187055-94-2 ]

CAS No. :1187055-94-2 MDL No. :MFCD22494826
Formula : C13H21BO3 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 236.12 Pubchem ID :-
Synonyms :

Safety of [ 1187055-94-2 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1187055-94-2 ]

* 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 [ 1187055-94-2 ]

[ 1187055-94-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 251115-21-6 ]
  • [ 1187055-94-2 ]
  • 5-methyl-3-[3-nitro-4-(trifluoromethyl)phenyl]cyclohex-2-en-1-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
85% With sodium carbonate; In 1,4-dioxane; water; at 120℃; for 3h;Inert atmosphere; To a solution of 5-methyl-3 -(tetramethyl- 1,3 ,2-dioxaborolan-2-yl)cyclohex-2-en- 1-one (18.00 g, 76.23 mmol) in dioxane (500 mL) was added <strong>[251115-21-6]4-bromo-2-nitro-1-(trifluoromethyl)benzene</strong> (18.00 g, 66.67 mmol, 1.00 equiv, 90%), sodium carbonate solution (23.75 g in 50 mL water, 224.08 mmol) and Pd(dppf)C12.CH2C12 (4.28 g, 5.23 mmol) at room temperature. The resulting mixture was stirred for 3 h at 120 C. When the reaction was done, it was quenched by the addition of water (150 mL). The resulting mixture was extracted with dichloromethane (500 mL x 3). The organic phases were combined, washed with brine and dried over Na2SO4. The solvent was removed under reduced pressure and the residue was purified by flash chromatography eluting with EtOAc in hexane (0% to 10% gradient) to yield 5-methyl-3-[3-nitro-4- (trifluoromethyl)phenyljcyclohex-2-en-1-one as yellow solid (16.94 g, 85%). MS: m/z = 300.0 [M+Hj .
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