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[ CAS No. 896447-72-6 ] {[proInfo.proName]}

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Chemical Structure| 896447-72-6
Chemical Structure| 896447-72-6
Structure of 896447-72-6 * Storage: {[proInfo.prStorage]}
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Product Details of [ 896447-72-6 ]

CAS No. :896447-72-6 MDL No. :MFCD14584807
Formula : C7H2ClF3N2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 206.55 Pubchem ID :-
Synonyms :

Safety of [ 896447-72-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 896447-72-6 ]

* 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.

  • Upstream synthesis route of [ 896447-72-6 ]
  • Downstream synthetic route of [ 896447-72-6 ]

[ 896447-72-6 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 287922-66-1 ]
  • [ 896447-72-6 ]
  • [ 1201187-18-9 ]
YieldReaction ConditionsOperation in experiment
38% at 110℃; for 5 h; Intermediate 6; 2-chloro-4-(trifluoromethyl)nicotinonitrile; A mixture of 4-(trifluoromethyl)nicotinonitrile 1-oxide (10.5 g, 55.8 mmol) and POCl3 (51 mL, 558 mmol) was heated at 110 °C for 5 hours. After evaporation of excess POCl3, the residue was taken up in dichloromethane and washed successively with 5percent K2CO3 and water. The organic phase was then dried over Na2SO4, filtered and concentrated to give a mixture of the title compound and 6-chloro-4-(trifluoromethyl)nicotinonitrile. 1H NMR analysis of the crude material showed that the title compound was the major isomer (7:3 2- EPO <DP n="38"/>chloro:6-chloro). The isomers were separated by flash chromatography. The 6-chloro isomer was eluted first with 9:1 hexanes:Et3N. Eluting with dichloromethane gave the title compound as an orange oil (4.50 g, 38percent).
Reference: [1] Patent: WO2006/68618, 2006, A1, . Location in patent: Page/Page column 36-37
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