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[ CAS No. 952206-85-8 ]

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Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 952206-85-8
Chemical Structure| 952206-85-8
Structure of 952206-85-8 *Storage: {[proInfo.prStorage]}

Quality Control of [ 952206-85-8 ]

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Alternatived Products of [ 952206-85-8 ]

Product Details of [ 952206-85-8 ]

CAS No. :952206-85-8MDL No. :MFCD11054039
Formula : C9H13BN2O3 Boiling Point : -
Linear Structure Formula :-InChI Key :-
M.W :208.02Pubchem ID :-
Synonyms :

Computed Properties of [ 952206-85-8 ]

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

Safety of [ 952206-85-8 ]

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

Application In Synthesis of [ 952206-85-8 ]

  • Downstream synthetic route of [ 952206-85-8 ]

[ 952206-85-8 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 1040377-12-5 ]
  • [ 73183-34-3 ]
  • [ 952206-85-8 ]
YieldReaction ConditionsOperation in experiment
90% With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate In 1,4-dioxane; water at 80℃; for 12h; Inert atmosphere; 39.2 Step 2: (2-Morpholinopyridin-4-yl,)boronic acid A mixture of 4-(4-bromopyridin-2-yl)morpholine (1.08 g, 4.44 mmol),bis(pinacolato)diboron (1.35 g, 5.33 mmol), AcOK (1.09 g, 11.11 mmol), [1,1-bis(diphenylphosphino)ferrocenej dichloropalladium(II) (325.07 mg, 444.26 umol) in 1,4- dioxane (15 mL) was degassed and purged with N2 (3x) at 20 °C, and then the mixture was stirred at 80 °C for 12 hrs under N2 atmosphere. The reaction mixture was filtered and the filtrate was evaporated to afford the title compound (2.1 g, 90%) as a black oil. MS-ESI (m/z)calc’d for C9H14BN203 [M+Hf: 209.1. Found 209.0.
0.85 g With bis-triphenylphosphine-palladium(II) chloride; potassium acetate In 1,4-dioxane at 80℃; for 12h; Inert atmosphere; 278.2 Step 2: (2-Morpholinopyridin-4-yl)boronic acid A mixture of 4-(4-bromopyridin-2-yl)morpholine (1 g, 4.11 mmol), bis(pinacolato)diboron (1.25 g, 4.94 mmol), AcOK (1.01 g, 10.28 mmol), Pd(dppf)Cl2 (300.99 mg, 411.35 umol) in 15 mL of dioxane was degassed and purged with N2 (3x) at 20 °C, and then the mixture was stirred at 80 °C for 12 hrs under an N2 atmosphere. The mixture was filtered, the filtrate was concentrated under reduced pressure to afford the title compound (0.85 g) as black oil, which was used without further purification. MS-ESI (m/z) calcd for C9H14BN2O3 [M+H]+: 209.1. Found 209.2.
  • 2
  • [ 952206-85-8 ]
  • [ 459133-66-5 ]
  • 4-(4-(5-bromo-1H-indazol-3-yl)pyridin-2-yl)morpholine [ No CAS ]
YieldReaction ConditionsOperation in experiment
26% With potassium acetate; In ethanol; water; at 90℃; for 12h;Inert atmosphere; A mixture of (2-morpholinopyridin-4-yl)boronic acid (1.29 g, 6.19 mmol), <strong>[459133-66-5]5-bromo-3-iodo-1H-indazole</strong> (1 g, 3.10 mmol), AcOK (911.74 mg, 9.29 mmol), bis(4-(di-tert-butylphosphanyl)-N,N-dimethyl-aniline); dichloropalladium (219.27 mg, 309.67 umol) in EtOH (20 mL) and H20 (4 mL) was degassed and purged with N2 (3x) at 15 C, and then the mixture was stirred at 90 C for 12 hrs under N2 atmosphere. The reaction mixture was concentrated under reduced pressure to remove solvent. The residue was purified by flashsilica gel chromatography (ISCO; 12 g SepaFlash column) using a 0-20% EtOAc/petroleum ether gradient eluent to afford the title compound (580 mg, 26%) as a brown solid. MS-ESI (m/z) calc’d for C16H16BrN4O [M+Hf: 359.0/361.0. Found 359.0/361.0.
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