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[ CAS No. 1369496-50-3 ]

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2D
Chemical Structure| 1369496-50-3
Chemical Structure| 1369496-50-3
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Product Details of [ 1369496-50-3 ]

CAS No. :1369496-50-3MDL No. :MFCD19689136
Formula : C6H3NO3 Boiling Point : -
Linear Structure Formula :-InChI Key :-
M.W :137.09Pubchem ID :18507598
Synonyms :

Computed Properties of [ 1369496-50-3 ]

TPSA : 74.2 H-Bond Acceptor Count : 4
XLogP3 : 0.6 H-Bond Donor Count : 1
SP3 : 0.00 Rotatable Bond Count : 1

Safety of [ 1369496-50-3 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P280-P305+P351+P338-P310UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1369496-50-3 ]

  • Downstream synthetic route of [ 1369496-50-3 ]

[ 1369496-50-3 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 1369496-50-3 ]
  • [ 227940-72-9 ]
  • C18H23N3O4 [ No CAS ]
  • 2
  • [ 1369496-50-3 ]
  • [ 227940-72-9 ]
  • [ 1392331-05-3 ]
  • 3
  • [ 141449-85-6 ]
  • [ 1369496-50-3 ]
  • C17H21N3O4 [ No CAS ]
  • 4
  • [ 141449-85-6 ]
  • [ 1369496-50-3 ]
  • [ 1392330-92-5 ]
  • 5
  • [ 885704-69-8 ]
  • [ 1369496-50-3 ]
  • 4-cyano-N-(4-(4-methylpiperazin-1-yl)-2-(piperidin-1-yl)phenyl)furan-2-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
86.1% With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 20.0℃; To the mixture of 4-(4-methylpiperazin-1-yl)-2- (piperidin-1-yl)aniline (0.5 g, 1.82 mmol), <strong>[1369496-50-3]4-cyanofuran-2-carboxylic acid</strong> (0.3 g, 2.18 mmol), HATU (0.83 g, 2.18 mmol), in DMF (10 mL) was added DIPEA (0.63 mL, 3.64 mmol). The reaction mixture was stirred at room temperature overnight and then partitioned between EtOAc and brine. The organic layer was separated, dried over anhydrous MgSO4, filtered, and concentrated under a vacuum. The resulting residue was purified by silica gel column chromatography (CH2Cl2: MeOH = 9:1) to give 4-cyano-N-(4-(4-methylpiperazin-1-yl)-2-(piperidin-1-yl)phenyl)furan-2- carboxamide as a pale yellow solid (0.62 g, 86.1% yield).1H NMR (500 MHz, CDCl3) d 9.41 (s, 1H), 8.31 (d, J = 8.7 Hz, 1H), 8.03 (s, 1H), 7.33 (s, 1H), 6.78 (s, 1H), 6.72 (d, J = 8.8 Hz, 1H), 3.19 (s, 4H), 2.83 (s, 4H), 2.59 (s, 4H), 2.36 (s, 3H), 1.76 (s, 4H), 1.63 (s, 2H).
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