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Chemical Structure| 76878-17-6 Chemical Structure| 76878-17-6

Structure of 76878-17-6

Chemical Structure| 76878-17-6

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Product Details of [ 76878-17-6 ]

CAS No. :76878-17-6
Formula : C10H8N2O4S
M.W : 252.25
SMILES Code : O=C(C1=C(N)C2=CC=CC([N+]([O-])=O)=C2S1)OC
MDL No. :MFCD25967079

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Application In Synthesis of [ 76878-17-6 ]

* 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 [ 76878-17-6 ]

[ 76878-17-6 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 34662-24-3 ]
  • [ 2365-48-2 ]
  • [ 76878-17-6 ]
  • 2
  • [ 1534-08-3 ]
  • [ 34662-24-3 ]
  • [ 76878-17-6 ]
YieldReaction ConditionsOperation in experiment
92% With triethylamine; In dimethyl sulfoxide; at 25℃; for 0.5h; NEt3 (0.16 mL, 1.15 mmol) was added dropwise to a solution of <strong>[34662-24-3]2-chloro-3-nitrobenzonitrile</strong> (191 mg, 1.05 mmol), and methyl thioacetate (0.1 mL, 1.1 mmol) in DMSO (3 mL) at 25 C. stirring under N2. The color of the solution turned dark orange. Thirty minutes later the reaction was quenched with ice water. The formed solid was collected by Buchner filtration and air dried to give methyl 3-amino-7-nitrobenzothiophene-2-carboxylate as a red-orange solid (244 mg, 92%). 1H NMR [(CD3)2SO]: delta 8.67 (dd, J=8.1, 1.0 Hz, 1H, H6), 8.58 (dd, J=7.8, 0.8 Hz, 1H, H4), 7.72 (t, J=7.8 Hz, 1H, H5), 7.37 (brs, 2H, NH2).
 

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