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Chemical Structure| 91591-72-9 Chemical Structure| 91591-72-9

Structure of 91591-72-9

Chemical Structure| 91591-72-9

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Product Details of [ 91591-72-9 ]

CAS No. :91591-72-9
Formula : C7H5Cl2NO
M.W : 190.03
SMILES Code : O=CC1=C(Cl)N=C(C)C=C1Cl
MDL No. :MFCD08272074

Safety of [ 91591-72-9 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 91591-72-9 ]

* 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 [ 91591-72-9 ]

[ 91591-72-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 28466-26-4 ]
  • [ 141-97-9 ]
  • [ 91591-72-9 ]
YieldReaction ConditionsOperation in experiment
p-toluenesulfonic acid monohydrate; In benzene; Imine (I1) A solution of <strong>[28466-26-4]4-aminopyrazole</strong> (10) (10.5 g, 126 mmol), ethylacetoacetate (18.0 g, 140 mmol, 1.05 eq.) and a catalytic amount of para-toluenesulfonic acid monohydrate (1.3 g, 6.65 mmol, 5%) in 100 mL of benzene was refluxed with a Dean-Stark trap for about 1 hour. The end of reaction checked by TLC (Ethylacetate/Hexane 1/1, <strong>[28466-26-4]4-aminopyrazole</strong> Rf=0.1, imine Rf=0.5, UV active, brown after overnight). Solvents were removed under vacuum and the imine was purified by running through a short silica chromatography column to give the desired product (11) as a tan solid (22.4 g, 125 mmol, 91%). GC/MS: m/z=195 (100%).
 

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