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Home > Encyclopedia > 1,5-Difluoro-3-methoxy-2-nitrobenzene

1,5-Difluoro-3-methoxy-2-nitrobenzene

1,5-Difluoro-3-methoxy-2-nitrobenzene structure

1,5-Difluoro-3-methoxy-2-nitrobenzene 

structure
  • CAS No:

    66684-61-5

  • Formula:

    C7H5F2NO3

  • Chemical Name:

    1,5-Difluoro-3-methoxy-2-nitrobenzene

  • Synonyms:

    Benzene,1,5-difluoro-3-methoxy-2-nitro-;1,5-Difluoro-3-methoxy-2-nitrobenzene

  • Categories:

    Organic Chemistry  >  Hydrocarbons and Derivatives

1,5-Difluoro-3-methoxy-2-nitrobenzene Basic Attributes

189.117

189.12

DTXSID50438172

2909309090

Characteristics

55

1.9

1.4±0.1 g/cm3

238℃

98℃

1.502

1,5-Difluoro-3-methoxy-2-nitrobenzene Use and Manufacturing

(Step 2) 1, 5-difluoro-3-methoxy-2-nitrobenzene (A) To a solution of 2.45 g (14.0 mmol) of 1, 3, 5-trifluoro-2-nitrobenzene in acetone are successively added 2.9 g (21.0 mmol) of KAdd 60 mL of methanol to a 100 mL single-mouth bottle.The ice water bath was cooled to 0-10 ° C, and sodium metal (2.6 g, 112.94 mmol) was added in portions, and the mixture was stirred and dissolved to obtain a 2N sodium methoxide solution in methanol.Add in another dry 250mL three-necked bottle1, 3, 5-trifluoro-2-nitrobenzene (10 g, 56.47 mmol) and methanol (100 mL) were stirred and dissolved.Cool down to 0-5 °C. The sodium methoxide methanol solution prepared above is added dropwise to the system, and the addition is completed.Insulation reaction for 2-3h.Add 2N HCl aqueous solution to adjust the pH to neutral, and pour the reaction solution into 200 mL of purified water.Extract three times with ethyl acetate (100 mL × 3), and combine the organic phases.The mixture was washed twice with saturated brine (100 mL×2), dried over anhydrous sodium sulfate for 30 min, and filtered.The filtrate was concentrated under reduced pressure to give 10 g of crude material.The crude product was stirred with petroleum ether (30 mL) at room temperature and filtered.The filtrate was concentrated under reduced pressure to give 4 g of oily product.The product was eluted with PE/EA = 10/1, and the collected product was concentrated under reduced pressure to give 2.2 g.

Computed Properties

Molecular Weight:189.12
XLogP3:1.9
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:189.02374935
Monoisotopic Mass:189.02374935
Topological Polar Surface Area:55
Heavy Atom Count:13
Complexity:197
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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