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Chemical Structure| 75785-12-5 Chemical Structure| 75785-12-5

Structure of 75785-12-5

Chemical Structure| 75785-12-5

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Product Details of [ 75785-12-5 ]

CAS No. :75785-12-5
Formula : C8H7N3O2
M.W : 177.16
SMILES Code : O=[N+](C1=CC2=C(NN=C2)C(C)=C1)[O-]
MDL No. :MFCD03792677

Safety of [ 75785-12-5 ]

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

Application In Synthesis of [ 75785-12-5 ]

* 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 [ 75785-12-5 ]

[ 75785-12-5 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 16947-63-0 ]
  • [ 75785-12-5 ]
YieldReaction ConditionsOperation in experiment
52% With acetic acid; sodium nitrite; In water; at 0 - 20℃; for 12.17h; To a 0 C solution of <strong>[16947-63-0]2,6-dimethyl-4-nitroaniline</strong> (21) (0.9 g,5.4 mmol) in glacial acetic acid (18 mL) was added a solution ofNaNO2 (0.45 g, 6.5 mmol) in 5 mL water by dropwise addition overa period of 10 min with stirring. The mixture was allowed to warmto room temperature and stirred for 12 h. The precipitate wasremoved by filtration of the reaction mixture through a pad ofCelite. The filtrate was poured into H2O (100 ml); the solid wascollected by filtration and purified by silica gel column chromatography(DCM/MeOH 100:1 as eluent) to afford 22 as a yellowsolid (0.50 g, 52%). Mp: 247e248 C. Rf: 0.24 (DCM/MeOH, 100/1, v/v). 1H NMR (DMSO-d6, 400 MHz) d 13.83 (s, 1H), 8.67 (d, J 1.8 Hz,1H), 8.39 (d, J 1.1 Hz, 1H), 8.02 (s, 2H), 2.62 (s, 3H). MS (ESI) m/z:175.5 [MH]-.
 

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