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[ CAS No. 141412-60-4 ]

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2D
Chemical Structure| 141412-60-4
Chemical Structure| 141412-60-4
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Product Details of [ 141412-60-4 ]

CAS No. :141412-60-4MDL No. :MFCD06200905
Formula : C7H5F2NO2 Boiling Point : 251°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :173.12Pubchem ID :230658
Synonyms :

Computed Properties of [ 141412-60-4 ]

TPSA : 45.8 H-Bond Acceptor Count : 4
XLogP3 : 2.3 H-Bond Donor Count : 0
SP3 : 0.14 Rotatable Bond Count : 0

Safety of [ 141412-60-4 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P261-P280-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 141412-60-4 ]

  • Upstream synthesis route of [ 141412-60-4 ]
  • Downstream synthetic route of [ 141412-60-4 ]

[ 141412-60-4 ] Synthesis Path-Upstream   1~3

  • 1
  • [ 452-67-5 ]
  • [ 141412-60-4 ]
YieldReaction ConditionsOperation in experiment
91% With KNO3 In conc. H2 SO4 2,5-Difluoro-4-nitrotoluene.
To a stirred solution of 2,5-difluorotoluene (0.544 g, 4.25 mmol, Aldrich, used as received) in conc. H2 SO4 (5.0 mL) at 0° C., KNO3 (0.430 g, 4.25 mmol) was added in one portion.
The resulting pale yellow solution was warmed to 28° C. and stirred at that temperature overnight.
It was then poured into ice (25 g) and extracted with ethyl acetate (40 mL).
The extract was dried over Na2 SO4 and evaporated to afford 0.555 g (91percent) of the title compound as a light red oil; 1 H NMR (CDCl3): 2.369 (d, 3H, J=1.8 Hz), 7.127 (dd, 1H, J1 =8.1 Hz, J2 =6.0 Hz), 7.734 (dd, 1H, J1 =8.4 Hz, J2 =6.3 Hz).
Reference: [1] Journal of Medicinal Chemistry, 1992, vol. 35, # 12, p. 2321 - 2327
[2] Journal of Organic Chemistry, 1995, vol. 60, # 18, p. 5838 - 5842
[3] Patent: US5631373, 1997, A,
[4] Patent: WO2008/119720, 2008, A1, . Location in patent: Page/Page column 54
  • 2
  • [ 141412-60-4 ]
  • [ 116465-48-6 ]
Reference: [1] Journal of Medicinal Chemistry, 1992, vol. 35, # 12, p. 2321 - 2327
  • 3
  • [ 14447-18-8 ]
  • [ 141412-60-4 ]
  • [ 1071974-01-0 ]
Reference: [1] Patent: EP2133332, 2009, A1, . Location in patent: Page/Page column 28
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