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Chemical Structure| 23489-36-3 Chemical Structure| 23489-36-3

Structure of 23489-36-3

Chemical Structure| 23489-36-3

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Product Details of [ 23489-36-3 ]

CAS No. :23489-36-3
Formula : C10H7BrO2
M.W : 239.07
SMILES Code : O=C(C1=CC2=CC=CC=C2O1)CBr
MDL No. :MFCD00176644
InChI Key :NVRNCBWTEDOAQA-UHFFFAOYSA-N
Pubchem ID :2735451

Safety of [ 23489-36-3 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302-H314
Precautionary Statements:P280-P305+P351+P338-P310
Class:8
UN#:3261
Packing Group:

Application In Synthesis of [ 23489-36-3 ]

* 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 [ 23489-36-3 ]

[ 23489-36-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 5319-77-7 ]
  • [ 23489-36-3 ]
  • 6-(benzofuran-2-yl)-2-(methylthio)imidazo[2,1-b][1,3,4]thiadiazole [ No CAS ]
YieldReaction ConditionsOperation in experiment
1.8 g In methanol; at 100℃; for 0.5h;Microwave irradiation; 5-(Methylthio)-1,3,4-thiadiazol-2-amine (1.85 g, 12.55 mmol) and 1-(benzofuran-2-yl)-2-bromoethanone (3 g, 12.55 mmol) were dissolved in MeOH (20 mL, 0.63 M) in a microwave vial (large vessel). The reaction was heated to 100 C in the microwave for 30 min, until formation of product was observed by HPLC analysis. The diluted reaction mixture with EtOAc was washed with H2O (2 x 50 mL) followed by brine (sat'd NaCl, 2 x 50 mL). The organic layer was dried onto SiO2 gel and the crude material was purified by flash chromatography (EtOAc/hexanes 0-100%). The purity of the chromatographed material was further improved by trituration using 10% EtOAc/hexane, thus providing 1.8 g of Example 1 as a tan solid. LCMS: 3.810 min, [M+1] = 288.0; 1H NMR (500 MHz, CDCl3) delta ppm 2.75 - 2.79 (m, 3 H) 7.03 - 7.09 (m, 1 H) 7.18 - 7.32 (m, 2 H) 7.46 - 7.53 (m, 1 H) 7.55 - 7.63 (m, 1 H) 8.04 - 8.07 (m, 1 H).
 

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