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Chemical Structure| 1604812-70-5 Chemical Structure| 1604812-70-5

Structure of 1604812-70-5

Chemical Structure| 1604812-70-5

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Product Details of [ 1604812-70-5 ]

CAS No. :1604812-70-5
Formula : C21H23BrF2N4O3
M.W : 497.33
SMILES Code : O=C(C1=C(NC2=CC=C(Br)C=C2F)C(F)=C3C(N(C)C=N3)=C1)NOCCOC(C)(C)C
MDL No. :N/A

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Application In Synthesis of [ 1604812-70-5 ]

* 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 [ 1604812-70-5 ]

[ 1604812-70-5 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1604812-70-5 ]
  • [ 606143-89-9 ]
YieldReaction ConditionsOperation in experiment
With phosphoric acid; water; In acetonitrile; at 20 - 53℃; for 6.25h; 6-(4-Bromo-2-fluorophenylamino)-7-fluoro-3-methyl-3H-benzoimidazole-5- carboxylic acid-(2-tert-butoxyethoxy)-amide (Compound 5) monohydrate is added in 3 portions to a premixed solution of Acetonitrile and excess Phosphoric acid (85 % aqueous solution) at internal temperature 20-25 C. After stirring for about 15 minutes, the suspension is heated to internal temperature 50-53 C. The suspension is maintained at this temperature for 6 hours, cooled to internal temperature 20-25 C. The mixture is then heated to internal temperature 35-37C and diluted with Ethanol- Water (3 :1 v/v). EKNS and CEFOK are added, the reaction mixture is stirred approximately 15 minutes and filtered over a funnel coated with CEFOK. The filtrate is cooled to approximately 30C. 3 N aqueous potassium hydroxide (KappaOmicronEta) is added to the cooled filtrate over a period of 90 minutes until a pH- value of about 8.1 is reached. The suspension is heated to internal temperature 60-63 C, stirred at this temperature for a period of about 2 hours, cooled to 20-23 C over a period of about 45 minutes, filtered over a funnel, and dried at 50C pressure <100 mbar over a period of about 17 hours, providing 6-(4-bromo-2-fluorophenylamino)-7-fluoro-3-methyl-3H- benzoimidazole-5-carboxylic acid (2-hydroxyethyoxy)-amide (Compound A) as a white powder.
 

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