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Chemical Structure| 40401-45-4 Chemical Structure| 40401-45-4

Structure of 40401-45-4

Chemical Structure| 40401-45-4

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Product Details of [ 40401-45-4 ]

CAS No. :40401-45-4
Formula : C8H7ClN2O2
M.W : 198.61
SMILES Code : O=C1COC2=CC(N)=C(Cl)C=C2N1
MDL No. :MFCD08444635

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Application In Synthesis of [ 40401-45-4 ]

* 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 [ 40401-45-4 ]

[ 40401-45-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 40401-45-4 ]
  • [ 7205-46-1 ]
  • [ 1449514-91-3 ]
YieldReaction ConditionsOperation in experiment
With tris-(dibenzylideneacetone)dipalladium(0); sodium t-butanolate; XPhos; In 1,4-dioxane; at 90.0℃; for 6h;Inert atmosphere; To a stirred solution of degassed dioxane (2 mL) was added 6-chloro-l -methyl- 1H- imidazo[4,5-c]pyridine (300 mg, 1.78 mmol), 7-amino-6-chloro-2H-benzo[6][l,4]oxazin-3(4H)-one (426 mg, 2.13 mmol), tris(dibenzylideneacetone)dipalladium(0) (81 mg, 0.089 mmol), 2- dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl (170 mg, 0.356 mmol) and sodium teri-butoxide (258 mg, 2.67 mmol) and the resulting mixture was heated to 90C for 6 h. The reaction mixture was cooled to room temperature, filtered through a PL-Thiol MP SPE+ column (pre-conditioned with 1 mL MeOH) using MeOH (3 x 2 mL) to wash the column. The combined organics were concentrated in vacuo and the resulting residue was purified by preparative HPLC to give the desired compound. [00308] NMR delta (ppm)(DMSO-d6): 10.72 (1 H, s, NH), 8.57 (1 H, d, ArH), 8.14 (1 H, s, ArH), 8.06 (1 H, s, NH), 7.65 (1 H, s, ArH), 7.03 (1 H, d, ArH), 6.98 (1 H, s, ArH), 4.61 (2 H, s, CH2), 3.76 (3 H, s, CH3). [00309] LCMS (1 Ocm ESI Bicarb MeCN) tR 2.62 (min) m/z 330 (MH+).
 

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