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[ CAS No. 171809-13-5 ] {[proInfo.proName]}

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Chemical Structure| 171809-13-5
Chemical Structure| 171809-13-5
Structure of 171809-13-5 * Storage: {[proInfo.prStorage]}
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Product Details of [ 171809-13-5 ]

CAS No. :171809-13-5 MDL No. :MFCD11109398
Formula : C8H8FN3 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 165.17 Pubchem ID :-
Synonyms :

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Signal Word:Warning Class:
Precautionary Statements:P280-P305+P351+P338 UN#:
Hazard Statements:H302 Packing Group:
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Application In Synthesis of [ 171809-13-5 ]

* 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 [ 171809-13-5 ]

[ 171809-13-5 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 171809-13-5 ]
  • [ 59786-31-1 ]
  • [ 1613514-65-0 ]
  • 2
  • [ 171809-13-5 ]
  • [ 59786-31-1 ]
  • [ 1613515-61-9 ]
YieldReaction ConditionsOperation in experiment
75% With tris-(dibenzylideneacetone)dipalladium(0); caesium carbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene; In 1,4-dioxane; at 116℃; for 1.5h;Inert atmosphere; Microwave irradiation; To a suspension of <strong>[59786-31-1]methyl 3-bromoisonicotinate</strong> (220 mg, 1.02 mmol), 3-amino-6-fluoro-1-methyl-indazole (220 mg, 1.33 mmol), Cs2CO3 (500 mg, 1.53 mmol), and Xantphos (89 mg, 0.15 mmol) in dioxane (5 mL) was added Pd2(dba)3 (47 mg, 0.051 mmol) under N2 at rt. The suspension was heated at 116° C. in a microwave for 90 min. The reaction was filtered and concentrated. Purification by silica gel chromatography (10percent-40percent EtOAc/DCM) gave 228 mg (75percent) of the intermediate ester as a yellow solid. The ester was hydrolyzed in 1N NaOH (1 mL) in MeOH (5 mL) at 35° C. for 1 h. The solution was neutralized with HOAc and concentrated. The residue was taken up in water, sonicated, and the solid was collected by filtration. The solid was taken up in MeOH and collected by filtration to give 148 mg (71percent) of the title compound as a yellow solid. 1H NMR (400 MHz, DMSO-d6): delta 3.96 (3H, s), 7.02 (1H, td, J=8.9, 1.6 Hz), 7.50 (1H, d, J=8.2 Hz), 7.63 (1H, dd, J=8.7, 5.0 Hz), 7.79 (1H, d, J=5.0 Hz), 8.18 (1H, d, J=5.0 Hz), 9.67 (1H, s), 10.59 (1H, br s), 14.20 (1H, br s). [M+H] calc'd for C14H11FN4O2, 287. found 287.
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