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Chemical Structure| 1142945-83-2 Chemical Structure| 1142945-83-2

Structure of 1142945-83-2

Chemical Structure| 1142945-83-2

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Product Details of [ 1142945-83-2 ]

CAS No. :1142945-83-2
Formula : C18H20ClN5O
M.W : 357.84
SMILES Code : ClC1=C2C(NC=C2)=NC(NC3=CC=C(OCCN4CCCC4)C=C3)=N1
MDL No. :MFCD16877462

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Application In Synthesis of [ 1142945-83-2 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 1142945-83-2 ]

[ 1142945-83-2 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 338454-45-8 ]
  • [ 1142945-83-2 ]
  • [ 1142945-85-4 ]
YieldReaction ConditionsOperation in experiment
48% With sodium carbonate;tetrakis(triphenylphosphine) palladium(0); In water; N,N-dimethyl-formamide; at 140℃; for 0.333333h;Microwave irradiation; To a microwave reaction tube was charged with 7 (85 mg, 0.24 mmol), 5- hydroxymethyl-2-boronic acid (50 mg, 0.32 mmol) and Pd(PPh3)4 (30 mg, 0.026 mmol).DMF (3 mL) was added to the above mixture followed by 2 M of sodium carbonate (0.5 mL). The reaction tube was sealed and the suspension irradiated with microwave at 140 0C for 20 min. After cooling to room temperature, the mixture was filtered, the filtered solid washed with DCM and the filtrate concentrated. The crude product was purified by etaPLC, the fractions combined and poured into saturated NaHCO3 solution (30 mL). The combined aqueous layers were extracted with EtOAc (2 x 30 mL) and the combined organic layers washed with brine, dried over anhydrous Na2SO4 and filtered. The filtrate was concentrated and the residue re-dissolved in minimum amount of EtOAc and hexanes added until solid precipitated. After filtration, the title compound was obtained as a yellow solid (50 mg, 48%).[0135] 1H NMR (500 MHz, DMSO-d6): delta 1.68-1.72 (m, 4H), 2.50-2.60 (m, 4H), 2.78- 2.84 (m, 2H), 4.04 (t, J = 4.9 Hz, 2H), 4.71 (d, J= 5.9 Hz, 2H), 5.61 (t, J= 5.8 Hz, IH), 6.79 (dd, J = 3.6, 1.8 Hz, IH), 6.88 (d, J= 9.1 Hz, 2H), 7.09 (d, J= 3.7 Hz, IH), 7.23 (dd, J= 3.5, 2.4 Hz, IH), 7.76 (d, J = 9.1 Hz, 2H), 7.91 (d, J = 3.8 Hz, IH), 8.98 (s, IH), 11.5 (s, IH) MS (ES+): m/z 436 (M+H)+
  • 2
  • [ 52133-67-2 ]
  • [ 1142945-83-2 ]
 

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