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Chemical Structure| 202197-25-9 Chemical Structure| 202197-25-9

Structure of 202197-25-9

Chemical Structure| 202197-25-9

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Product Details of [ 202197-25-9 ]

CAS No. :202197-25-9
Formula : C13H12FNO
M.W : 217.24
SMILES Code : NC1=CC=C(OCC2=CC=CC(F)=C2)C=C1
MDL No. :MFCD08056104
InChI Key :LMKDKHDGVBPEKI-UHFFFAOYSA-N
Pubchem ID :16775314

Safety of [ 202197-25-9 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H312-H315-H319-H332-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 [ 202197-25-9 ]

* 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 [ 202197-25-9 ]

[ 202197-25-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 98556-31-1 ]
  • [ 202197-25-9 ]
  • [ 231278-20-9 ]
YieldReaction ConditionsOperation in experiment
Stage 1: Preparation of N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6- iodo-4-quinazolinamine 4-Chloro-6-iodoquinazoline (1wt) was added to a solution of fluorobenzyloxyaniline (0.894wt, 1.03equiv) in N-methylpyrrolidinone (8.26wt, 8vol) at ca 20C, and after the initial exotherm had subsided, the resulting solution was stirred at 20-25C for at least 30 minutes. The dark solution was treated with triethylamine (0.58vol, 1.2equiv) and the mixture was stirred for 20-30 minutes. Isopropanol (2.5vol) was added and the mixture was heated to ca 50C. Water (up to 3vol) was added slowly to the vessel over 10-15 minutes, while keeping the temperature at ca 50C. Once crystallisation had commenced the addition was stopped and the resulting slurry was aged for 30-45 minutes at ca 50C. Any residual water (from the 3vol) was added, then further water (5vol) was added to the vessel over ca 30 minutes while maintaining the temperature at ca 50C. The resulting slurry was cooled to ca 20C over ca 30 minutes and aged at ca 20C for at least 30 minutes. The solid was collected by filtration and washed sequentially with water (2 x 5vol), then isopropanol (5vol). The product was dried in vacuo at ca 60C to give the title compound as a cream crystalline solid.
 

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