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Chemical Structure| 877874-79-8 Chemical Structure| 877874-79-8

Structure of 877874-79-8

Chemical Structure| 877874-79-8

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Product Details of [ 877874-79-8 ]

CAS No. :877874-79-8
Formula : C15H11F3N4O
M.W : 320.27
SMILES Code : OC1=CC=C(C=C1)C1=NN=C(NC2=CC(=CC=C2)C(F)(F)F)N1
MDL No. :MFCD14706830

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Application In Synthesis of [ 877874-79-8 ]

* 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 [ 877874-79-8 ]

[ 877874-79-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 877874-79-8 ]
  • [ 1005-38-5 ]
  • [ 76-05-1 ]
  • C2HF3O2*C20H16F3N7OS [ No CAS ]
YieldReaction ConditionsOperation in experiment
4-(5-[3-(trifluromethyl)phenyl]amino}-4F-l,2,4-triazol-3-yl)phenol (100 mg, 0.31 mmol) was dissolved in 3 mL of anhydrous dioxane in 2-5 mL microwave vial (Personal Chemistry). Solid CS2CO3 (101.7 mg, 0.31 mmol) was added, followed by 4-amino-6-chloro-2-(methylthio)-pyrimidine (60.3 mg, 0.34 mmol). The vial was capped and microwaved at 200 °C for 10 min. Then ca. 3 mL of MeOH was added to dissolve the formed suspension. The resulting reddish-brown solution was transferred into a round-bottom flask and solvent was removed in vacuo. The residue was re-dissolved in 3 mL of DMF, filtered through 0.22 u syringe filter and purified by reverse phase preparative HPLC using acetontrile/water system with 0.01percent of TFA. The fractions, containing the product, were collected and partitioned between EtOAc and saturated aqueous NaHC03. Ethyl acetate layer was washed with brine, dried over anhydrous sodium sulfate and filtered. Solvent was removed in vacuo to give the title compound as a white solid (39.5 mg).; ESI-MS: [M+H]+,461.0. lR NMR (DMSO-d6): 5 3.80 (s, 3H), 5.53 (s, 1H), 6.70 (s, 2H), 6.30 (s, 2H), (d, J= 8.6 Hz, 2H),
 

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