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Chemical Structure| 63458-98-0 Chemical Structure| 63458-98-0

Structure of 63458-98-0

Chemical Structure| 63458-98-0

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Product Details of [ 63458-98-0 ]

CAS No. :63458-98-0
Formula : C12H11F3O4
M.W : 276.21
SMILES Code : O=C(C1=CC=C(OC)C(OC)=C1)CC(C(F)(F)F)=O
MDL No. :MFCD01570564

Safety of [ 63458-98-0 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501

Application In Synthesis of [ 63458-98-0 ]

* 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 [ 63458-98-0 ]

[ 63458-98-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1203705-55-8 ]
  • [ 63458-98-0 ]
  • C15H11BrF3N3O2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
48% With acetic acid; at 80.0℃; for 1.0h; A mixture of 3-amino-5-bromopyrazole C-8 (3.24 g, 20 mmol) and diketone C-2 (5.52 g, 20 mmol) in Acetic acid (20 mL) was heated to 80 C. After 1 h, the reaction mixture was cooled to rt, and diluted with IPA. A yellow ppt formed in the mixture, which was collected by filtration. Upon standing, additional ppt was formed in the mother liquor. The combined crops were collected and dried under vacuum to afford 3.89 g of compound C-9 as a yellow solid (9.67 mmol, 48% yield). [0369] 1H NMR (400 MHz, CHLOROFORM-d) delta ppm 3.99 (s, 3H) 4.05 (s, 3H) 6.85 (s, 1H) 7.00 (d, J=8.47 Hz, 1H) 7.57 (s, 1H) 7.62 (dd, J=8.45, 2.16 Hz, 1H) 7.80 (d, J=2.14 Hz, 1H) [0370] MS (M+H+) 402.2
 

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