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Chemical Structure| 63502-89-6 Chemical Structure| 63502-89-6

Structure of 63502-89-6

Chemical Structure| 63502-89-6

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Product Details of [ 63502-89-6 ]

CAS No. :63502-89-6
Formula : C7H9ClN2O
M.W : 172.61
SMILES Code : N=C(N)C1=CC=CC(O)=C1.[H]Cl
MDL No. :MFCD09954378

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Application In Synthesis of [ 63502-89-6 ]

* 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.

  • Downstream synthetic route of [ 63502-89-6 ]

[ 63502-89-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 52133-67-2 ]
  • [ 63502-89-6 ]
  • [ 1199943-03-7 ]
YieldReaction ConditionsOperation in experiment
3-Dihydroxybenzamidine hydrochloride as obtained above (89.2 g) was dissolved in absolute ethanol (3080 mL) and a part of the ethanol (2200 mL) was subsequently distilled off again. More absolute ethanol (2200 mL) was added to this receiving solution, together with DBU (175 g), <strong>[52133-67-2]2-cyano-4,4-diethoxy-butyric acid ethyl ester</strong> (237.0 g) and triethyl amine (1 1 1 g). The resulting mixture was heated until reflux and further refluxed for 22 hrs. Most of the solvent (2950 mL) was then distilled off while the remainder was allowed to cool to 50 0C. An aqueous solution of hydrochloric acid (2.3 M, 1360 mL) was added slowly, the reaction mixture was allowed to cool to ambient temperature and stirring was continued for 1 hr. The resulting precipitate was filtered off, washed with water (3 x 100 mL) and dried in vacuo at 40 0C for 2 days to yield 82.8 g 2-(3-hydroxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ol.
 

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