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Chemical Structure| 876322-58-6 Chemical Structure| 876322-58-6

Structure of 876322-58-6

Chemical Structure| 876322-58-6

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Product Details of [ 876322-58-6 ]

CAS No. :876322-58-6
Formula : C21H23BF3NO3
M.W : 405.22
SMILES Code : O=C(NC1=CC=C(C)C(B2OC(C)(C)C(C)(C)O2)=C1)C3=CC=CC(C(F)(F)F)=C3

Safety of [ 876322-58-6 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319
Precautionary Statements:P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

Application In Synthesis of [ 876322-58-6 ]

* 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 [ 876322-58-6 ]

[ 876322-58-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 709652-82-4 ]
  • [ 876322-58-6 ]
  • [ 76-05-1 ]
  • N-(3-(6-amino-5-cyanopyridin-3-yl)-4-methylphenyl)-3-(trifluoromethyl)benzamide tifluoroacetate [ No CAS ]
YieldReaction ConditionsOperation in experiment
48% To a solution of <strong>[709652-82-4]2-amino-5-bromonicotinonitrile</strong> (1.4 equiv.) in toluene and ethanol (2.5:1) was added N-(4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan- 2-yl)phenyl)-3-(trifluoromethyl)benzamide (1.0 equiv.), Pd(PPh3)4 (0.1 equiv.) and aqueous potassium carbonate (3M, 3.0 equiv.). The reaction was heated in the microwave at 120 C for 40 min. The organic layer was separated and concentrated to dryness under vacuo. The residue was dissolved in DMSO and purified via reverse phase HPLC. The pure fractions were lyophilized to give N-(3-(6-amino-5-cyanopyridin-3-yl)-4-methylphenyl)-3- (trifluoromethyl)benzamide as the TFA salt in 48% yield. 1H NMR (400 MHz, DMSOd6) G 10.45 (s, 1H), 8.30 (s, 1H), 8.25 (d, J=2.0, 1H), 8.23 (d, J=2.0, 1H), 7.97 (d, J=8.0, 1H), 7.95 (d, J=4.0, 1H), 7.79 (t, J=8.0, 1H), 7.72 (dd, J=8.0, 2.0, 1H), 7.61 (d, J=4.0, 1H), 7.30 (d, J=12.0, 1H), 2.23 (s, 3H). LCMS (m/z) (M+H) = 397.1, Rt = 0.91 min.
 

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