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Chemical Structure| 1006-65-1 Chemical Structure| 1006-65-1

Structure of 1006-65-1

Chemical Structure| 1006-65-1

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Product Details of [ 1006-65-1 ]

CAS No. :1006-65-1
Formula : C9H7NO
M.W : 145.16
SMILES Code : C1(C2=CC=CC=C2)=NOC=C1
MDL No. :MFCD00464218
InChI Key :ZBRDJMFLJXFIGJ-UHFFFAOYSA-N
Pubchem ID :136798

Safety of [ 1006-65-1 ]

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

Application In Synthesis of [ 1006-65-1 ]

* 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 [ 1006-65-1 ]

[ 1006-65-1 ] Synthesis Path-Downstream   1~9

  • 1
  • [ 70820-70-1 ]
  • [ 1006-67-3 ]
  • [ 1006-65-1 ]
  • 2
  • [ 55337-55-8 ]
  • [ 1006-67-3 ]
  • [ 1006-65-1 ]
  • 3
  • 2-methyl-5-phenylisothiazolium perchlorate [ No CAS ]
  • [ 38769-74-3 ]
  • [ 1006-67-3 ]
  • [ 1006-65-1 ]
  • 4
  • [ 3356-89-6 ]
  • [ 1006-65-1 ]
  • 5
  • [ 3623-15-2 ]
  • [ 1006-67-3 ]
  • [ 1006-65-1 ]
  • 6
  • benzoylacetaldehyde dioxime [ No CAS ]
  • [ 1006-67-3 ]
  • [ 1006-65-1 ]
  • 7
  • oxymethylenacetophenone sesquioxime [ No CAS ]
  • [ 1006-67-3 ]
  • [ 1006-65-1 ]
  • 8
  • [ 7647-01-0 ]
  • [ 70820-70-1 ]
  • [ 1006-67-3 ]
  • [ 1006-65-1 ]
  • 9
  • [ 1504-58-1 ]
  • [ 1006-67-3 ]
  • [ 1006-65-1 ]
YieldReaction ConditionsOperation in experiment
45%; 43% With bismuth(lll) trifluoromethanesulfonate; N-Bromosuccinimide; hydroxylamine hydrochloride; In 1,4-dioxane; at 101℃; for 5h;Sealed tube; The preparation process is: adding propargyl alcohol derivative, halogen source and acid in a sealed tube,The reaction was carried out at 101 C under heating and reflux, and hydroxylamine was added after the disappearance of the propargyl alcohol derivative was monitored by TLC.After 5 hours of reaction, saturated brine was added to quench the reaction, and the organic phase was extracted with ethyl acetate.The product is dried by anhydrous sodium sulfate and concentrated to obtain the isoxazole derivative. The purity of the product can be improved by column chromatography.Calculating the yield: the yield of isoxazole derivative I is 45%, the yield of isoxazole derivative II is 43%,The yield of the total isoxazole derivative was 88%.Among them, propargyl alcohol, halogen source, hydroxylamine,The solvent and acid loading were 3-phenylprop-2-yn-1-ol (2mmol), NBS (2mmol),Hydroxylamine hydrochloride (2.1 mmol), dioxane (10 mL) and bismuth triflate (0.1 mmol).
 

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