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Chemical Structure| 116836-27-2 Chemical Structure| 116836-27-2

Structure of 116836-27-2

Chemical Structure| 116836-27-2

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Product Details of [ 116836-27-2 ]

CAS No. :116836-27-2
Formula : C9H9N3O
M.W : 175.19
SMILES Code : OC1=C2C=CC=C(C)C2=NC(N)=N1
MDL No. :MFCD20545707

Safety of [ 116836-27-2 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338

Application In Synthesis of [ 116836-27-2 ]

* 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 [ 116836-27-2 ]

[ 116836-27-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 4338-95-8 ]
  • [ 66176-17-8 ]
  • [ 116836-27-2 ]
YieldReaction ConditionsOperation in experiment
92% With sodium carbonate; In water; acetonitrile; at 20 - 110℃; for 2.25h; A suspension of the above isatoic anhydride derivative (3.13 g, 17.7 mmol, 1 equiv.), S-methylisothiourea hydroiodide (3.85 g, 17.7 mmol, 1 equiv.), sodium carbonate (2.06g, 19.5 mmol, 1.1 equiv.) in MeCN (53 mL) and H20 (13 mL) was placed in a heating block preheated to 110 C for 75 minutes. The reaction mixture was cooled to room temperature and left to stir for one hour, at which point the precipitate was filtered and washed with a 4:1 mixture of MeCN/H20 and dried under high vacuum to afford 2-aminoquinazolinone derivative (2.84 g, 92%) as a greyish solid.
 

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