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Chemical Structure| 110525-57-0 Chemical Structure| 110525-57-0

Structure of 110525-57-0

Chemical Structure| 110525-57-0

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Product Details of [ 110525-57-0 ]

CAS No. :110525-57-0
Formula : C10H9N3O2
M.W : 203.20
SMILES Code : [N+](=O)([O-])C2=CC=C(C[N]1C=CC=N1)C=C2
MDL No. :MFCD05995592
InChI Key :ZFWQFBNNHCBSFT-UHFFFAOYSA-N
Pubchem ID :973663

Safety of [ 110525-57-0 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H332-H335
Precautionary Statements:P261-P280-P305+P351+P338

Application In Synthesis of [ 110525-57-0 ]

* 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.

  • Upstream synthesis route of [ 110525-57-0 ]

[ 110525-57-0 ] Synthesis Path-Upstream   1~4

  • 1
  • [ 288-13-1 ]
  • [ 100-11-8 ]
  • [ 110525-57-0 ]
YieldReaction ConditionsOperation in experiment
76% With potassium carbonate In acetonitrile at 20℃; A mixture of 4-nitrobenzyl bromide (0.500 g, 2.31 mmol), lH-pyrazole (0.362 g, 5.23 mmol), and potassium carbonate (0.704 g, 5.09 mmol) in acetonitrile (30 mL) was stirred at rt overnight. After this time, the mixture was diluted with water and extracted with ethyl acetate. The combined organic layer was dried over anhydrous sodium sulfate, filtered, and the filtrate was concentrated. The residue was purified by column chromatography (silica, hexanes/ethyl acetate) to afford the title compound (0.380 g, 76percent) as a white solid. MW = 203.20. ]H NMR (CDC13, 500 MHz) δ 8.21-8.19 (m, 1H), 8.19-8.16 (m, 1H),7.61- 7.57 (m, 1H), 7.48-7.44 (m, 1H), 7.32-7.28 (m, 2H), 6.35 (t, / = 2.1 Hz, 1H), 5.44 (s, 2H); APCI MS m/z 204 [M + H]+.
References: [1] Organic Preparations and Procedures International, 2000, vol. 32, # 4, p. 385 - 390.
[2] Patent: WO2014/66659, 2014, A1, . Location in patent: Paragraph 0824.
  • 2
  • [ 288-13-1 ]
  • [ 100-14-1 ]
  • [ 110525-57-0 ]
References: [1] Tetrahedron Letters, 1986, vol. 27, # 51, p. 6209 - 6212.
[2] Farmaco, 1992, vol. 47, # 3, p. 335 - 344.
  • 3
  • [ 100-00-5 ]
  • [ 110525-57-0 ]
References: [1] Journal of Organic Chemistry, 2013, vol. 78, # 13, p. 6648 - 6656.
  • 4
  • [ 586-78-7 ]
  • [ 110525-57-0 ]
References: [1] Journal of Organic Chemistry, 2013, vol. 78, # 13, p. 6648 - 6656.
 

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