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Chemical Structure| 86-93-1 Chemical Structure| 86-93-1

Structure of 86-93-1

Chemical Structure| 86-93-1

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Product Details of [ 86-93-1 ]

CAS No. :86-93-1
Formula : C7H6N4S
M.W : 178.21
SMILES Code : S=C1N=NNN1C2=CC=CC=C2
MDL No. :MFCD00003129
InChI Key :GGZHVNZHFYCSEV-UHFFFAOYSA-N
Pubchem ID :690730

Safety of [ 86-93-1 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H228-H302
Precautionary Statements:P210-P280
Class:4.1
UN#:1325
Packing Group:

Application In Synthesis of [ 86-93-1 ]

* 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 [ 86-93-1 ]

[ 86-93-1 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 104-21-2 ]
  • [ 86-93-1 ]
  • [ 127866-65-3 ]
  • 2
  • [ 61439-59-6 ]
  • [ 86-93-1 ]
  • 5-(4-(benzyloxy)phenethylsulfonyl)-1-phenyl-1H-tetrazole [ No CAS ]
  • 3
  • [ 61439-59-6 ]
  • [ 86-93-1 ]
  • C22H20N4OS [ No CAS ]
  • 4
  • [ 81765-97-1 ]
  • [ 86-93-1 ]
  • 2-methyl-4-((1-phenyl-1H-tetrazol-5-yl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine [ No CAS ]
YieldReaction ConditionsOperation in experiment
36% With sodium hydrogencarbonate; In dimethyl sulfoxide; at 80℃; for 16.0h;Inert atmosphere; General procedure: To a solution of compound 4 (0.65 mmol) or compound 27, compound 5 (0.73 mmol) and sodium bicarbonate (1.30 mmol) in DMSO (5 mL) was stirred at 80 C for 16 h. The mixture was extracted with ethyl acetate. The extract was washed with saline and the solvents were removed in vacuo. The crude product was purified by silica gel chromatography using cyclohexane-ethyl acetate(25:1) as eluate to give compound 6-13 or compound 28 (63% yield) as white solid. 2-Methyl-4-((1-phenyl-1H-tetrazol-5-yl)thio)-5,6,7,8-tetrahydrobenzo [4,5]thieno[2,3-d]pyrimidine (6). Yield=36%; 1H NMR (500 MHz, CDCl3) delta 7.63 (dt, J=8.4, 3.6 Hz, 2H), 7.55-7.44 (m, 3H), 3.04 (t, J=4.8 Hz, 2H), 2.86 (d, J=5.2 Hz, 2H), 2.45 (s, 3H), 1.99-1.88 (m, 4H), 1.28 (s, 1H). 13C NMR (126 MHz, CDCl3) delta 167.74 (s), 161.14 (s), 155.98 (s), 146.50 (s), 137.61 (s), 134.23 (s), 130.44 (s), 129.40 (s), 125.90 (d, J=14.9 Hz), 124.53 (s), 29.70 (s), 26.07 (s), 25.72 (s), 25.21 (s), 22.42 (d, J=12.8 Hz). ESI-MS m/z: 381.2 [M+H]+.
 

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