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[ CAS No. 1678-49-5 ]

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2D
Chemical Structure| 1678-49-5
Chemical Structure| 1678-49-5
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Product Details of [ 1678-49-5 ]

CAS No. :1678-49-5MDL No. :MFCD00085925
Formula : C5H3BrN2O3 Boiling Point : 393°C at 760 mmHg
Linear Structure Formula :-InChI Key :N/A
M.W :218.99Pubchem ID :-
Synonyms :

Computed Properties of [ 1678-49-5 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 1678-49-5 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1678-49-5 ]

  • Upstream synthesis route of [ 1678-49-5 ]
  • Downstream synthetic route of [ 1678-49-5 ]

[ 1678-49-5 ] Synthesis Path-Upstream   1~8

  • 1
  • [ 1678-49-5 ]
  • [ 13534-98-0 ]
Reference: [1] Canadian Journal of Chemistry, 1983, vol. 61, p. 2556 - 2562
[2] Heterocycles, 1992, vol. 34, # 12, p. 2379 - 2384
[3] Journal of Heterocyclic Chemistry, 1988, vol. 25, p. 81 - 87
[4] Journal of Organic Chemistry, 1959, vol. 24, p. 1008,1010
[5] Recueil des Travaux Chimiques des Pays-Bas, 1950, vol. 69, p. 468,472
[6] Journal fuer Praktische Chemie (Leipzig), 1988, vol. 330, # 1, p. 154 - 158
  • 2
  • [ 1678-49-5 ]
  • [ 36953-42-1 ]
Reference: [1] Journal of Chemical Research, Miniprint, 1982, # 3, p. 912 - 942
  • 3
  • [ 2402-97-3 ]
  • [ 39856-50-3 ]
  • [ 1678-49-5 ]
Reference: [1] Asian Journal of Chemistry, 2013, vol. 25, # 8, p. 4632 - 4636
  • 4
  • [ 626-55-1 ]
  • [ 39856-50-3 ]
  • [ 1678-49-5 ]
Reference: [1] Asian Journal of Chemistry, 2013, vol. 25, # 8, p. 4632 - 4636
  • 5
  • [ 1678-49-5 ]
  • [ 2247-88-3 ]
Reference: [1] Chemical Communications, 2016, vol. 52, # 44, p. 7150 - 7152
[2] Patent: US2017/355648, 2017, A1,
  • 6
  • [ 1678-49-5 ]
  • [ 27353-36-2 ]
Reference: [1] Bulletin of the Polish Academy of Sciences, Chemistry, 1984, vol. 32, # 3-6, p. 105 - 114
  • 7
  • [ 1678-49-5 ]
  • [ 769-54-0 ]
YieldReaction ConditionsOperation in experiment
37% With tetrabutyl ammonium fluoride In tetrahydrofuran; dimethyl sulfoxide at 125℃; Example 3 (0054) Non-radioactive fluorination of 3-bromo-4-nitropyridine N-oxide (8): 10 μL of 1 M TBAF solution in THF (10 μmol, 0.5 eq.) was added to a solution of a 3-bromo-4-nitropyridine N-oxide (98+percent, Alfa Aesar) (20 μmol, 1 eq.) in 500 μL of anhydrous DMSO in a 2 mL HPLC vial. The reaction was analyzed by HPLC (conditions B). Retention times: 3-bromo-4-nitropyridine N-oxide (8)=11.84 min, 3-fluoro-4-nitropyridine N-oxide (9)=7.93 min. Retention time for the product matched within 0.05 min the reference standard. Identity of the product was confirmed by HR-MS (m/z M+ exp.: 158.0141, calc.: 158.0128) and 1H, 13C and 19F NMR. Product amount was calculated from the area under the curve of the HPLC UV2 trace using a calibration curve.
Reference: [1] Patent: US2017/355648, 2017, A1, . Location in patent: Paragraph 0054
[2] Chemical Communications, 2016, vol. 52, # 44, p. 7150 - 7152
  • 8
  • [ 1678-49-5 ]
  • [ 75115-28-5 ]
Reference: [1] Chemistry of Heterocyclic Compounds (New York, NY, United States), 1987, vol. 23, # 5, p. 529 - 535[2] Khimiya Geterotsiklicheskikh Soedinenii, 1987, vol. 23, # 5, p. 639 - 645
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