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Chemical Structure| 936758-09-7 Chemical Structure| 936758-09-7

Structure of 936758-09-7

Chemical Structure| 936758-09-7

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Product Details of [ 936758-09-7 ]

CAS No. :936758-09-7
Formula : C12H10FN5
M.W : 243.24
SMILES Code : NC1=C2C(N(C3=CC=C(F)C=C3)N=C2)=NC(C)=N1
MDL No. :MFCD25016092

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Application In Synthesis of [ 936758-09-7 ]

* 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 [ 936758-09-7 ]

[ 936758-09-7 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 75-05-8 ]
  • [ 51516-70-2 ]
  • [ 936758-09-7 ]
YieldReaction ConditionsOperation in experiment
With ammonia; In methanol; at 200℃; for 45h;Product distribution / selectivity; Method B5-Amino-1-(4-fluorophenyl)-1/-/-pyra2thetale-4-carbonitrile (which may be prepared as described in J. Med. Chem., 1991 , 34, 2892-2898) (7.45g, 37mmol) and acetonitrile (56ml, 1.07mol) in 2M ammonia / methanol (150ml) were stirred and heated to 200C in a steel pressure vessel for 45 hours. The reaction mixture was cooled and the precipitate was filtered, washed with methanol and dissolved in ethyl acetate. The ethyl acetate solution was filtered in order to remove a small amount of insoluble solid and then concentrated in vacuo until appearance of precipitate. The ethyl acetate suspension was diluted with an equal volume of chloroform and the solid filtered and washed with 1 :1 chloroform / 40:60 petroleum ether to give the title compound (4.37g). LCMS: tRET = 2.42 min; MH+ = 244 A further 1.3g of title compound was obtained from the acetonitrile / 2M ammonia in methanol mother liquor using a similar work-up.
 

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