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Chemical Structure| 867333-31-1 Chemical Structure| 867333-31-1

Structure of 867333-31-1

Chemical Structure| 867333-31-1

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Product Details of [ 867333-31-1 ]

CAS No. :867333-31-1
Formula : C14H10Cl2N4
M.W : 305.16
SMILES Code : NC1=NC2=C(C)C=C(C3=C(Cl)C=CC=C3Cl)C=C2N=N1
MDL No. :MFCD12024678

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Application In Synthesis of [ 867333-31-1 ]

* 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 [ 867333-31-1 ]

[ 867333-31-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 867333-31-1 ]
  • [ 127116-19-2 ]
  • 2-(4-{6-[7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]triazin-3-ylamino]-2-methyl-pyrimidin-4-yl}-piperazin-1-yl)-ethanol hydrochloride [ No CAS ]
YieldReaction ConditionsOperation in experiment
65% To synthesize the title compound (CLXIX), a suspension of compound 62 (0.15 g, 0.49 mmol), compound 63 (0.16 g, 0.62 mmol), Pd(OAc)2 (7 mg, 0.031 mmol), Xantphos (36 mg, 0.062 mmol) and potassium tert-butoxide (0.11 g, 0.98 mmol) in dioxane/DMF (4 mL, 3/1 v/v) was sealed in a microwave reaction tube and irradiated with microwave at 160 C. for 20 min. After cooling down to room temperature, the cap was removed and the resulting mixture filtered and the filtered solid washed with DCM. The filtrate was concentrated and the residue purified by flash chromatography on silica gel (5-10% MeOH/DCM) to afford the free base compound. The free base compound was converted to HCl salt according to method C and furnished the title compound as a yellow solid (0.18 g, 65% overall). 1H NMR (DMSO-d6): δ 2.54 (s, 3H), 2.75 (s, 3H), 3.15-3.25 (m, 4H), 3.59-3.72 (m, 6H), 3.82 (t, J=4.6 Hz, 2H), 4.56 (br s, 1H), 7.55 (t, J=7.8 Hz, 1H), 7.67 (d, J=8.2 Hz, 2H), 7.91-7.93 (m, 1H), 8.31 (d, J=1.5 Hz, 1H), 10.93 (br s, 1H), 11.83 (br s, 1H). MS (ESI+): m/z 525.
 

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