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Chemical Structure| 122129-79-7 Chemical Structure| 122129-79-7

Structure of 122129-79-7

Chemical Structure| 122129-79-7

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Product Details of [ 122129-79-7 ]

CAS No. :122129-79-7
Formula : C6H4F2N2O2
M.W : 174.11
SMILES Code : NC1=CC(F)=C(C(F)=C1)[N+]([O-])=O
MDL No. :MFCD00456793

Safety of [ 122129-79-7 ]

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

Application In Synthesis of [ 122129-79-7 ]

* 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 [ 122129-79-7 ]

[ 122129-79-7 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 315-14-0 ]
  • [ 361-72-8 ]
  • 5-fluoro-2-nitrobenzene-1,3-diamine [ No CAS ]
  • [ 122129-79-7 ]
YieldReaction ConditionsOperation in experiment
67%; 20 mg With ammonia; In tetrahydrofuran; water; at 0 - 20℃; for 20h;Sealed tube; To a solution of 2,4,6-trifluoronitrobenzene (1) (2.00 g,11.3 mmol) in dry tetrahydrofuran (50 mL) stirring in a sealed tube and chilled in an ice-water bath, was added aqueous ammonia solution (25 %, 1.7 mL, 22.7 mmol, 2 equiv.). The tube was then sealed and allowed to stir at room temperature for 20 h before the solvent was removed by rotary evaporator and theresidue taken up in ethyl acetate (100 mL). The ethyl acetatesolution was washed with brine (100 mL), dried (MgSO4), andevaporated to give an orange solid (1.65 g), which was recrystallizedfrom 5 : 1 petroleum spirit/ethyl acetate to give 3,5-difluoro-2-nitroaniline (2a) as an orange crystalline solid (1.32 g, 67 %), mp 107.5-108.58C (lit.[22] 107-1088C). dH(600 MHz, CDCl3) 5.90, (br, 2H, H2, NH2), 6.24-6.30 (m, 2H,H4, H6).Isolation of the minor isomer 3a and the minor by-product 4awas achieved by chromatographic separation of the supernatantfrom the crystallization of 2a. Recrystallization from dichloromethane gave 3a as pale yellow blocks, mp 183-1858 (Lit.[23]179-181), while 4a (20 mg) was obtained as a red crystallinesolid from dichloromethane, mp 137-1398. dH (400 MHz,CDCl3) 6.28 (br, 4H, H2, NH2), 5.71 (d, J 8, 2H, H4, H6).
 

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