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[ CAS No. 525-47-3 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 525-47-3
Chemical Structure| 525-47-3
Structure of 525-47-3 * Storage: {[proInfo.prStorage]}
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Product Details of [ 525-47-3 ]

CAS No. :525-47-3 MDL No. :MFCD00023978
Formula : C10H6N2O4 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 218.17 Pubchem ID :-
Synonyms :

Safety of [ 525-47-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 525-47-3 ]

* 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 [ 525-47-3 ]

[ 525-47-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 525-47-3 ]
  • [ 123536-15-2 ]
  • [ 590369-85-0 ]
YieldReaction ConditionsOperation in experiment
64% Stage #1: 5-nitroquinoline-2-carboxylic acid; (R)-3-aminoquinuclinine With N-ethyl-N,N-diisopropylamine; HATU In DMF (N,N-dimethyl-formamide); water for 48h; Stage #2: With (2E)-but-2-enedioic acid In isopropyl alcohol at 60℃; 12 EXAMPLE 12; N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]-5-nitroquinoline-2-carboxamide DIEA (156 μL, 0.9 mmol), DMF (25 mL), 5-nitroquinoline-2-carboxylic acid (0.098 g, 0.45 mmol), and HATU (0.171 g, 0.45 mmol) are added to a solution of (R)-3-aminoquinuclidine (0.090 g, 0.45 mmol) in water (2.5 mL). The resulting solution is stirred for 48 hours under N2. The solution is diluted with 1 volume of MeOH and loaded onto a column of AG50W-X2 resin (H+ form). The resin is washed with MeOH and the product is eluted with a solution of 5% TEA in MeOH. This solution is evaporated to dryness, concentrated from MeCN, and dried in vacuo. The resulting material is dissolved in i-PrOH and heated to 60° C. 1 equivalent of fumaric acid (0.0516 g, 0.44 mmol) is added and a brown solid precipitates immediately. The solution is cooled to rt and the solid is filtered. The resulting salt is dissolved in MEOH and passed through a plug of Amberjet 4400 resin (OH- form). The resulting material is concentrated from MeOH three times and then dried in vacuo to yield Example 12 as a brown solid (0.094 g, 64%). HRMS (FAB) calculated for C17H18N4O3+H+: 327.1457, found 327.1439.
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