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[ CAS No. 890839-10-8 ]

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Chemical Structure| 890839-10-8
Chemical Structure| 890839-10-8
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Product Details of [ 890839-10-8 ]

CAS No. :890839-10-8 MDL No. :MFCD18761362
Formula : C17H25BO4 Boiling Point : 380.6±25.0°C at 760 mmHg
Linear Structure Formula :- InChI Key :-
M.W :304.19 g/mol Pubchem ID :-
Synonyms :

Safety of [ 890839-10-8 ]

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 [ 890839-10-8 ]

  • Downstream synthetic route of [ 890839-10-8 ]

[ 890839-10-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 154825-97-5 ]
  • [ 73183-34-3 ]
  • [ 890839-10-8 ]
YieldReaction ConditionsOperation in experiment
63% With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; palladium diacetate; In 1,4-dioxane; at 90℃; for 5h; Methyl 2-(4-bromophenyl)-2-methylpropanoate (1 g, 3.89 mmol), (dppf) PdCl2 (158 mg, 0.19 mmol),Potassium acetate (1.15 g, 11.7 mmol) and diboronic acid pinacol ester (1.5 g, 5.8 mmol) were dissolved in 1,4-dioxane (20 mL). The reaction is heated to 90 C for 5 h.Then concentrated under reduced pressure, and the residue obtained was applied to silica gel column chromatography(PE/EtOAc (V/V)) = 50/1) purified,The title compound is a white solid(0.75g,, 63%).
63% With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In 1,4-dioxane; at 90℃; for 5h;Inert atmosphere; [00251]. Methyl 2-(4-Bromophenyl)-2-methylpropionate (1 g, 3.89 mmol), (dppf)PdC 12 (158 mg, 0.19 mmol), potassium acetate (1.15 g, 11.7 mmol) and bis(pinacolato)diboron(1.5 g, 5.8 mmol) were dissolved in 1,4-dioxane (20 mL) under N2. The reaction mixture was stirred at 90 C for 5 hours and concentrated in vacuo. The residue was purified by silica gel column chromatography (PE/EtOAc (v/v) = 50/1) to give the title compound as a white solid (0.75 g, 63%). MS (ESI, p05. ion): m/z305.1 [M+H].
59% With potassium acetate;(1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In 1,4-dioxane; at 95℃; for 8h; a) Methyl 2-methyl-2-[4-(4.4,5,5-tetramethyl-1 ,3,2-dioxaborolan-2-v0phenylipropanoate; To a solution of <strong>[154825-97-5]methyl 2-(4-bromophenyl)-2-methylpropanoate</strong> (3 g, 11.67 mmol) and bis(pinacolato)diboron (4.45 g, 17.5 mmol) in dioxane (42 mL) was added Pd(dppf)CI2 (0.29 g, 0.36 mmol) and KOAc (3.44 g, 35 mmol). The reaction mixture was stirred at 95 0C for 8 h. After cooling to room temperature, EtOAc and brine were added and the mixture was filtered through Celite. The layers were separated and the organic layer was concentrated and purified by flash column chromatography. The crude product was then recrystallized with hot hexane to give the pure product (2.08 g, 59%) as colorless crystals. MS(ES) m/e 305.4 [M+H]+
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In dimethyl sulfoxide; at 80℃; for 3h;Inert atmosphere; A mixture of compound 68c (1.0 g, 3.9 mmol), 4,4,5,5-tetramethyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (1.2 g, 4.7 mmol), Pd(dppf)Cl2 (95 mg, 0.12 mmol), KOAc (1.1 g, 12 mmol), and DMSO (10 mL) was stirred for 3 h at 80 C. under a nitrogen atmosphere. The reaction mixture was then treated with water (50 mL) and extracted with EtOAc (2*20 mL). The combined organic layers were dried over anhydrous sodium sulfate, filtered, and the filtrate was concentrated under reduced pressure to yield a residue, which was subjected to flash column chromatography on silica gel (10% EtOAc/petroleum ether) to afford compound 68d as a off-white solid. 1H NMR (CDCl3, 400 MHz) delta (ppm): 7.79-7.81 (d, J=8.0 Hz, 2H), 7.37-7.34 (d, J=8.4 Hz, 2H), 3.66 (s, 3H), 1.60 (s, 6H), 1.35 (s, 12H). Mass Spectrum (LCMS, ESI pos.): Calcd. for C12H25BO4: 305.2 (M+H). found: 305.0.

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