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[ CAS No. 104175-33-9 ] {[proInfo.proName]}

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Chemical Structure| 104175-33-9
Chemical Structure| 104175-33-9
Structure of 104175-33-9 * Storage: {[proInfo.prStorage]}
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Product Details of [ 104175-33-9 ]

CAS No. :104175-33-9 MDL No. :MFCD00487548
Formula : C12H11NO2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 201.22 Pubchem ID :-
Synonyms :

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Application In Synthesis of [ 104175-33-9 ]

* 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 [ 104175-33-9 ]

[ 104175-33-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 104175-33-9 ]
  • [ 5334-39-4 ]
  • [ 459-46-1 ]
  • N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide [ No CAS ]
  • N-[1-(4-fluorobenzyl)-5-methyl-1H-pyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
51%; 23% Example 1 N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-4-yl]-2,6-dimethylquinoline-4- carboxamide To a solution of 245 mg (1.19 mmol) of a mixture of 1 -(4-fluorobenzyl)-3-methyl-1 H- pyrazol-4-amine and 1 -(4-fluorobenzyl)-5-methyl-1 H-pyrazol-4-amine (intermediate 1C) in 4.0 mL DMSO was added 453 mg (1.19 mmol) HATU, 0.26 mL N,N- diisopropylethylamine and 200 mg (0.99 mmol) commercially available 2,6- dimethylquinoline-4-carboxylic acid. The reaction mixture was stirred for 20 hours at 25C. This mixture was directly purified via preparative HPLC (method A1) to obtain 208 mg (51%) of the desired title compound together with 92 mg (23%) of the regioisomer N-[1 -(4-fluorobenzyl)-5-methyl-1 H-pyrazol-4-yl]-2,6-dimethylquinoline-4- carboxamide. 1H NMR (500 MHz, DMSO d6): delta (ppm) = 2.18 (s, 3H), 2.48 (s, 3H), 2.68 (s, 3H), 5.25 (s, 2H), 7.19 (t, 2H), 7.36 (dd, 2H), 7.50 (s, 1H), 7.60 (dd, 1H), 7.80 (s, 1H), 7.89 (d, 1H), 8.23 (s, 1H), 10.21 (s, 1H).
51%; 23% To a solution of 245 mg (1.19 mmol) of a mixture of 1 -(4-fluorobenzyl)-5-methyl-1 H- pyrazol-4-amine and 1 -(4-fluorobenzyl)-3-methyl-1 H-pyrazol-4-amine (intermediate 1C) in 4.0 mL DMSO was added 453 mg (1.19 mmol) HATU, 0.26 mL N,N- diisopropylethylamine and 200 mg (0.99 mmol) commercially available 2,6- dimethylquinoline-4-carboxylic acid. The reaction mixture was stirred for 20 hours at 25 C. This mixture was directly purified via preparative HPLC (method A1 ) to obtain 92 mg (23%) of the desired title compound together with 208 mg (51%) of the regioisomer N-[1 -(4-fluorobenzyl)-3-methyl-1 H-pyrazol-4-yl]-2,6-dimethylquinoline-4- carboxamide. 1 H NMR (500 MHz, DMSO d6): delta (ppm) = 2.22 (s, 3H), 2.48 (s, 3H), 2.68 (s, 3H), 5.31 (s, 2H), 7.16 - 7.26 (m, 4H), 7.53 (s, 1 H), 7.60 (dd, 1 H), 7.79 (s, 1 H), 7.85 (s, 1 H), 7.89 (d, 1 H), 10.12 (s, 1 H).
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