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[ CAS No. 562085-85-2 ]

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Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 562085-85-2
Chemical Structure| 562085-85-2
Structure of 562085-85-2 *Storage: {[proInfo.prStorage]}

Quality Control of [ 562085-85-2 ]

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Product Details of [ 562085-85-2 ]

CAS No. :562085-85-2MDL No. :MFCD18818864
Formula : C12H12N2O Boiling Point : -
Linear Structure Formula :-InChI Key :N/A
M.W :200.24Pubchem ID :45116466
Synonyms :

Computed Properties of [ 562085-85-2 ]

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

Safety of [ 562085-85-2 ]

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 [ 562085-85-2 ]

  • Downstream synthetic route of [ 562085-85-2 ]

[ 562085-85-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 626-60-8 ]
  • [ 104-94-9 ]
  • [ 562085-85-2 ]
YieldReaction ConditionsOperation in experiment
89% With [(CyPF-tBu)PdCl2]; sodium t-butanolate In 1,2-dimethoxyethane at 110℃; for 36h; Inert atmosphere; Sealed vial;
86% With (C5H5)Fe(C5H3C(CH3)NC6H4CH3)PdCl(CN2(C6H3(CH(CH3)2)2)2C2H2); potassium <i>tert</i>-butylate In 1,4-dioxane at 110℃; for 8h; Inert atmosphere; Schlenk technique;
84% With NHC-Pd(II)-Im; potassium <i>tert</i>-butylate In toluene for 4h; Inert atmosphere; Reflux; 4.2. Experimental procedures General procedure: Under N2 atmosphere, KOtBu (114.0 mg, 1.0 mmol), NHC-Pd(II)-Im complex 1 (5.2 mg, 1.0 mol %), dry toluene (1.0 mL), chlorobenzene 2a (0.8 mmol), and aniline 3a (0.96 mmol) were successively added into a Schlenk reaction tube. The reaction mixture was stirred under reflux for 4 h. Then the solvent was removed under reduced pressure and the residue was purified by a flash chromatography on silica gel to give the pure product 4a.
84% With C48H56ClN3Pd; potassium <i>tert</i>-butylate In tetrahydrofuran at 70℃; for 24h; Schlenk technique; Inert atmosphere;
93 %Chromat. With potassium phosphate In N,N-dimethyl-formamide at 120℃; for 12h;

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