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[ CAS No. 1398503-71-3 ]

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2D
Chemical Structure| 1398503-71-3
Chemical Structure| 1398503-71-3
Structure of 1398503-71-3 *Storage: {[proInfo.prStorage]}

Quality Control of [ 1398503-71-3 ]

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Alternatived Products of [ 1398503-71-3 ]

Product Details of [ 1398503-71-3 ]

CAS No. :1398503-71-3MDL No. :MFCD16994463
Formula : C15H21BO3 Boiling Point : -
Linear Structure Formula :-InChI Key :-
M.W :260.14Pubchem ID :-
Synonyms :

Computed Properties of [ 1398503-71-3 ]

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

Safety of [ 1398503-71-3 ]

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

Application In Synthesis of [ 1398503-71-3 ]

  • Downstream synthetic route of [ 1398503-71-3 ]

[ 1398503-71-3 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 38380-85-7 ]
  • [ 73183-34-3 ]
  • [ 1398503-71-3 ]
YieldReaction ConditionsOperation in experiment
36% With potassium acetate;dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; In dimethyl sulfoxide; at 80℃; for 5h;Inert atmosphere; Step A) 2-[4-(Cyclopropyloxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolanePd(dppf)Cl2 (770 mg, 0.94 mmol) was added to a degassed suspension of <strong>[38380-85-7]1-bromo-4-(cyclopropyloxy)benzene</strong> (2.0 g, 9.39 mmol), potassium acetate (2.76 g, 28.12 mmol), and 4,4,4',4',5,5,5',5'-octamethyl-2,2'-bi-1,3,2-dioxaborolane (2.62 g, 10.32 mmol) in anhydrous DMSO (20 mL). The reaction was heated to 80 C. and stirred at this temperature for 5 h. The reaction was allowed to cool to rt and diluted with water and diethyl ether. The organic phase was separated and the aqueous phase was extracted with diethyl ether. The organics were combined, dried (MgSO4), filtered, and concentrated in vacuo. Hexanes were added to the residue and the resulting yellow solution was decanted from the brown residue. The yellow solution was concentrated, and the residue was purified via column chromatography using an eluent of 2% ethyl acetate in hexanes to afford title compound as a colorless oil (878 mg, 36%). MS (LCMS) m/z 261.2 (M+1). 1H NMR (400 MHz, CHLOROFORM-d) delta ppm 0.74-0.83 (m, 4H) 1.34 (s, 12H) 3.73-3.82 (m, 1H) 7.05 (d, 2H) 7.75 (d, 2H).
  • 2
  • [ 625-92-3 ]
  • [ 1398503-71-3 ]
  • [ 76-05-1 ]
  • [ 123088-59-5 ]
  • 4-(5-(4-cyclopropoxyphenyl)pyridin-3-yl)benzamide trifluoroacetic acid salt [ No CAS ]
  • 3
  • [ 1398503-71-3 ]
  • 4-cyclopropoxyphenol [ No CAS ]
YieldReaction ConditionsOperation in experiment
84% With 4-methylmorpholine N-oxide; In tetrahydrofuran; at 20 - 75℃; for 19.5h; 2-(4-Cyclopropoxy-phenyl)-4,4,5,5-tetramethyl-[1 ,3,2]dioxaborolane (800 mg, 3.08 mmol) and 4-methyl-morpholine 4-oxide (1 .03 g, 8.83 mmol) in THF (100 mL) are stirred at 75C for 1 .5 h and then for 18 h at rt. The reaction mixture is concentrated under vacuum and the residue is purified by silica gel chromatography to afford the title compound. (0650) Yield: 389 mg (84%)
Historical Records

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