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Chemical Structure| 856840-76-1 Chemical Structure| 856840-76-1

Structure of 856840-76-1

Chemical Structure| 856840-76-1

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Product Details of [ 856840-76-1 ]

CAS No. :856840-76-1
Formula : C11H12N2O2
M.W : 204.23
SMILES Code : O=C(C1=C2N=CN(C)C2=CC=C1)OCC
MDL No. :MFCD22682796

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Application In Synthesis of [ 856840-76-1 ]

* 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 [ 856840-76-1 ]

[ 856840-76-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 167487-83-4 ]
  • [ 74-88-4 ]
  • [ 856840-76-1 ]
YieldReaction ConditionsOperation in experiment
46% Into a 100-mL round-bottom flask was placed a suspension of sodium hydride (1.24 g, 31.00 mmol, 1.20 equiv) in DMF (10 mL). Ethyl 1H-1,3-benzodiazole-4-carboxylate (4.9 g, 25.76 mmol, 1.00 equiv) was added to the reaction solution at 0 C. The resulting solution was stirred for 1 h at 0 C. Next, iodomethane (3.66 g, 25.79 mmol, 1.00 equiv) was added to the reaction mixture at 0 C. The resulting solution was allowed to react, with stirring, for an additional 2 h while the reaction mixture temperature was maintained 0 C in an ice bath. Then, the reaction was quenched by the addition of 100 mL of water. The resulting solution was extracted with 3x200 mL of dichloromethane. The combined organic layers were washed with 3x200 mL of H2O. The resulting mixture was concentrated under vacuum and the resulting residue was purified by silica gel column with dichloromethane/methanol (97:3) as eluent to furnish 2.4 g (46%) of ethyl 1-methyl-1H-1,3-benzodiazole-4-carboxylate as a red solid.
 

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