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Chemical Structure| 64992-03-6 Chemical Structure| 64992-03-6

Structure of 64992-03-6

Chemical Structure| 64992-03-6

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Product Details of [ 64992-03-6 ]

CAS No. :64992-03-6
Formula : C6H5BrFN
M.W : 190.01
SMILES Code : FC1=NC=CC(CBr)=C1
MDL No. :MFCD09953531
InChI Key :QVTCEZINLKFYJJ-UHFFFAOYSA-N
Pubchem ID :13985168

Safety of [ 64992-03-6 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302-H314
Precautionary Statements:P260-P264-P270-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P405-P501
Class:8
UN#:1760
Packing Group:

Application In Synthesis of [ 64992-03-6 ]

* 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 [ 64992-03-6 ]

[ 64992-03-6 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 64992-03-6 ]
  • [ 104-15-4 ]
  • [ 436-77-1 ]
  • C55H54F3N5O6(2+)*2C7H7O3S(1-) [ No CAS ]
YieldReaction ConditionsOperation in experiment
5.5g Weighing 6.10g of <strong>[436-77-1]fangchinoline</strong> base,5.80 g of 2-fluoro-4-pyridinemethyl bromide dissolved in 150 mL of 90% ethanol in a 500 mL three-necked flask, and then added with 10 mL of diethylamine, and stirred and heated to 80 C.The mixture was stirred and reacted for 4 hours, and the total reaction of fangchinolinwas detected by HPLC.The solvent was distilled off under reduced pressure, and the mixture was cooled to room temperature, and then 30% p-toluenesulfonic acid (to solution pH=7.5) was added and heated to be stirred for 4 h, and treated with 500 g of D-101 macroporous adsorption resin.After washing with water, it was eluted with 95% ethanol. The separation and purification process of the reaction and the product were followed by HPLC. The ethanol fraction was collected, and ethanol was distilled off under reduced pressure to obtain a solid.The solid was dried at 60 C for 6 h to give 5.50 g of product as pale yellow powder. The melting point of the desired product: 189.4-192.0 C, TOF-HRMS: M/e (1280.4292), molecular formula: C69H68O12N5F3S2,That is, compound III218 in Table 2.
  • 2
  • [ 64992-03-6 ]
  • [ 436-77-1 ]
  • C43H44FN3O6 [ No CAS ]
YieldReaction ConditionsOperation in experiment
4.85 g With sodium ethanolate; In N,N-dimethyl-formamide; at 70℃; for 2h; Weigh 6.10g of <strong>[436-77-1]fangchinoline</strong>, 0.10g of sodium ethoxide dissolved in DMF 100mL in a 500mL three-necked flask, and then add 2-fluoro-4-pyridylmethyl bromide2.00g, stirred and mixed evenly, heated at 70 C for 2h, TLC detection of all reactions of <strong>[436-77-1]fangchinoline</strong>,DMF was depressurized, 200 g silica gel H column chromatography, ethyl acetate-ethanol (10:1) elution, TLC tracking reaction and product separation and purificationThe process collects and combines the product fractions and distills off the solvent at 60 C using a rotary evaporator to obtain a product as a pale yellow powder.4.85g.
  • 3
  • [ 64992-03-6 ]
  • [ 110-17-8 ]
  • [ 436-77-1 ]
  • C43H44FN3O6*C4H4O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
5.55 g Weighing 6.10g of <strong>[436-77-1]fangchinoline</strong>,2-fluoro-4-pyridylmethyl bromide 2.00g dissolved in 90%150mL of ethanol in a 500mL three-necked flask,Then add 10mL of diethylamine,Stir and mix together to heat to 80 C, and stir the reaction for 4 h.TLC detection All the nolin base is reacted, and the solvent is distilled off under reduced pressure.Cool down to room temperature, 30%Fumaric acidNeutralize to pH=7.1, distill off the solvent under reduced pressure.After solid matter was dissolved in 200 mL of water, it was treated with 500 g of D-101 macroporous adsorption resin, washed with water and then eluted with 95% ethanol.The TLC traces the reaction and the separation and purification process of the product, collects the ethanol fraction, and distills off the ethanol under reduced pressure to obtain a solid, solid matter.Drying at 60 C for 6 h gave a product of 5.55 g as a pale yellow powder.
 

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