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Chemical Structure| 913846-53-4 Chemical Structure| 913846-53-4

Structure of 913846-53-4

Chemical Structure| 913846-53-4

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Product Details of [ 913846-53-4 ]

CAS No. :913846-53-4
Formula : C11H6ClN3O
M.W : 231.64
SMILES Code : N#CC1=CC=CC=C1OC2=NC=NC(Cl)=C2
MDL No. :MFCD11655931
InChI Key :JNEZGHPSXFUFMT-UHFFFAOYSA-N
Pubchem ID :50999262

Safety of [ 913846-53-4 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H314-H290-H334
Precautionary Statements:P234-P260-P264-P280-P261-P284-P390-P301+P330+P331-P363-P304+P340-P316-P321-P305+P351+P338-P305+P354+P338-P317-P342+P316-P406-P405-P501
Class:8
UN#:1759
Packing Group:

Application In Synthesis of [ 913846-53-4 ]

* 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 [ 913846-53-4 ]

[ 913846-53-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 873-32-5 ]
  • [ 1193-24-4 ]
  • [ 913846-53-4 ]
YieldReaction ConditionsOperation in experiment
93% (1) 1 part by weight was added to the reaction vessel<strong>[1193-24-4]4,6-dihydroxypyrimidine</strong>,1 part by weightO-chlorobenzonitrile,3 parts by weight of N, N-dimethylformamide,0.1 part by weight of a pyridine catalyst,Stir the stirrer,And then to the reactor filled with nitrogen for protection,The reaction temperature was raised to 140 C,Continue to stir to the reaction 10h,Followed by reflux for 2 h,After the reaction,Stop heating,After the reaction temperature in the system is cooled to 85 C,The pyridine in the reaction system was removed by rotary evaporation,And then vacuum removal of solvent N, N-dimethyl formamide,Followed by the addition of solvent methylene chloride,Stirring cooling,When the reaction temperature drops to the precipitation of the crystal,Centrifugal drying,The resulting solid is directly charged into the chlorination kettle; (2) 2 parts by weight of phosphorus oxychloride was charged into the chlorination vessel of Step 1,3 parts by weight of triethylamine was slowly added dropwise,After completion of the dropwise addition, the reaction temperature was maintained at 50 C,After 2h the reaction was warmed to reflux for 85 ,After the reaction was refluxed for 4 h,The excess phosphorus oxychloride was removed by distillation under reduced pressure,After cooling to room temperature,And then the reaction system of the material drops to 10 times the water in the hydrolysis kettle,And the temperature of the hydrolysis kettle is not higher than 20 C,Hydrolyzed 3 h after extraction with dichloroethane,The organic layer was added with 0.01 part by weight of the insurance powder,After slowly heating for half an hour,Hot filter,The filtrate is transferred to a crystallization kettle,After cooling to 10 C,The material centrifugal drying,White or pale yellow solid,That is4-chloro-6- (2-nitrile phenoxy) pyrimidine. The purity of the product 4-chloro-6- (2-nitrile phenoxy) pyrimidine obtained by the above procedure was 90% in a yield of 93%.
 

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