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Chemical Structure| 1433849-53-6 Chemical Structure| 1433849-53-6

Structure of 1433849-53-6

Chemical Structure| 1433849-53-6

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Product Details of [ 1433849-53-6 ]

CAS No. :1433849-53-6
Formula : C15H22N4O4
M.W : 322.36
SMILES Code : O=C(N1C[C@H](C)N(C2=CC=C([N+]([O-])=O)N=C2)CC1)OC(C)(C)C
MDL No. :MFCD31808211

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Application In Synthesis of [ 1433849-53-6 ]

* 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 [ 1433849-53-6 ]

[ 1433849-53-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 52092-47-4 ]
  • [ 147081-29-6 ]
  • [ 1433849-53-6 ]
YieldReaction ConditionsOperation in experiment
80.5% With potassium phosphate; palladium diacetate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In 1,4-dioxane; at 95 - 105℃;Inert atmosphere; [0232] In a second step, compound 154 was prepared from compounds 40 and 50 as follows: (0334) (0335) [0233] Dioxane (1.5 L, 10 v/wpercent) was charged to a reaction flask and agitation was started. The reaction flask was evacuated and refilled with N2 three times. Compound 50 (118.7 g, 733.7 mmol, 1.02 eq.), compound 40 (150 g, 718 mmol, 1.0 eq.), and K3P04 (318 g, 1468 mmol, 2.09 eq.) were charged to the reaction flask with constant flow of N2. The reaction flask was evacuated and refilled with N2 three times. Pd(OAc)2 (3.4 g, 15.1 mmol, 0.021 eq.) catalyst and BINAP ligand (9.3 g, 14.9 mmol, 0.021 eq) were added to the reaction flask with constant flow of N2. The reaction flask was evacuated and refilled with N2 three times and N2 flow was continued for 1 h. The mixture was heated to 95 to 105°C and stirred at temperature for 15 h under N2 flow. The reacted mixture was cooled to 50 to 60°C and filtered at that temperature. The collected solids were washed with hot dioxane. The liquid filtrate was concentrated to dryness in vacuo at 50 to 60°C to form a residue, z'-propanol (300 g) was combined with the residue and the mixture was slurried at -5 to 5°C for 1 hour and then filtered. The collected solids were washed with cold z'-propanol. The wet solids were dried in vacuo at 60 to 70°C to yield compound 154 (t-butyl (S)-3-methyl-4-(6-nitropyridin- 3-yl)piperazine-l-carboxylate). The purity of compound 154 was 99.5 areapercent by HPLC, the assay was 94.4percent and the yield was 80.5percent. [0234]
 

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