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Chemical Structure| 83341-28-0 Chemical Structure| 83341-28-0

Structure of 83341-28-0

Chemical Structure| 83341-28-0

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Product Details of [ 83341-28-0 ]

CAS No. :83341-28-0
Formula : C7H6FNO3
M.W : 171.13
SMILES Code : OC1=CC(F)=C(C)C=C1[N+]([O-])=O
MDL No. :MFCD16658619
InChI Key :SYRLVBSEEMWFMS-UHFFFAOYSA-N
Pubchem ID :12782411

Safety of [ 83341-28-0 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302-H315-H317-H318-H410
Precautionary Statements:P261-P264-P270-P272-P273-P280-P301+P312+P330-P302+P352-P305+P351+P338+P310-P333+P313-P391-P501
Class:9
UN#:3077
Packing Group:

Application In Synthesis of [ 83341-28-0 ]

* 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.

  • Downstream synthetic route of [ 83341-28-0 ]

[ 83341-28-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 83341-28-0 ]
  • [ 74-88-4 ]
  • [ 314298-13-0 ]
YieldReaction ConditionsOperation in experiment
90% With potassium carbonate; In N,N-dimethyl-formamide; at 20℃; 5-Fluoro-4-methyl-2-nitrophenol (2.83 g, 16.5 mmol) was dissolved in N,N-dimethylformamide (25 mL). K2CO3 (3.4 g, 25 mmol) and iodomethane (1.2 mL, 20 mmol) were added and the mixture was stirred at rt overnight. The mixture was then poured into H2O and stirred until solids crashed out. The solids were filtered and air dried to give the title compound without further purification (2.76 g, 90%). 1H NMR (400 MHz, DMSO-d6) delta ppm 7.92 (d, J=8.1 Hz, 1H), 7.25 (d, J=11.7 Hz, 1H), 3.89 (s, 3H), 2.19 (d, J=1.5 Hz, 3H).
90% With potassium carbonate; In N,N-dimethyl-formamide; at 20℃; Step B/lntermediate B1 12: 1-fluoro-2-methyl-5-(methyloxy)-4-nitrobenzene; 5-fluoro-4-methyl-2-nitrophenol (2.83 g, 16.5 mmol) was dissolved in N, N- dimethylformamide (25 ml_). Potassium carbonate (3.4 g, 25 mmol) and <n="145"/>iodomethane (1.2 ml_, 20 mmol) were added and the mixture was stirred at room temperature overnight. The mixture was then poured into water and stirred until solids crashed out. The solids were filtered and air dried to give 1-fluoro-2-methyl-5- (methyloxy)-4-nitrobenzene without further purification (2.76 g, 90 %). 1 H NMR (400 MHz, DMSOd6) delta ppm 7.92 (d, J=8.1 Hz, 1 H), 7.25 (d, J= 11.7 Hz, 1 H), 3.89 (s, 3 H), 2.19 (d, J=1.5 Hz, 3 H).
90% With potassium carbonate; In N,N-dimethyl-formamide; at 20℃;Inert atmosphere; 5-Fluoro-4-methyl-2-niotatrophenol (2 83 g, 16 5 mmol) was dissolved in DMF (25 mL) K2CO3 (34 g, 25 mmol) and iodomethane (1 2 mL, 20 mmol) were added and the mixture was stirred at rt overnight The mixture was then poured into H2O and stirred until solids crashed out The solids were filtered and air dried to give the title25 compound of step C without further purification (2 76 g, 90 %) 1H-NMR (400 MHz, DMSO-Cf6) delta ppm 7 92 (d, J = 8 1 Hz, 1 H), 7 25 (d, J =11 7 Hz, 1 H), 3 89 (s, 3 H), and 2 19 (d, J = 1 5 Hz, 3 H)
87% With potassium carbonate; In N,N-dimethyl-formamide; at 20℃; for 16h; (0664) 5-Fluoro-4-methyl-2-nitrophenol (4.48 g, 26.2 mmol) was dissolved in N,N-dimethylformamide (50 mL), and potassium carbonate (5.4 g, 39.3 mmol) and iodomethane (4.46 g, 31.4 mmol) were added to the system. The mixture was stirred at room temperature for 16 h. After the reaction, the reaction solution was poured into water (100 mL), and stirred until solids were precipitated. Filtration was performed and the filter cake was washed with water and dried to get the title compound (4.2 g, yield: 87%).

 

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