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Chemical Structure| 93103-29-8 Chemical Structure| 93103-29-8

Structure of 93103-29-8

Chemical Structure| 93103-29-8

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Product Details of [ 93103-29-8 ]

CAS No. :93103-29-8
Formula : C8H7N3S
M.W : 177.23
SMILES Code : SC1=NC(C2=CC=CN=C2)=CN1
MDL No. :N/A

Safety of [ 93103-29-8 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302-H318
Precautionary Statements:P264-P270-P280-P301+P312+P330-P305+P351+P338+P310-P501
Class:8
UN#:1759
Packing Group:

Application In Synthesis of [ 93103-29-8 ]

* 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 [ 93103-29-8 ]

[ 93103-29-8 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 93103-29-8 ]
  • [ 51746-85-1 ]
YieldReaction ConditionsOperation in experiment
92% With nitric acid; sodium nitrite; In water; at 5 - 35℃; 3.2 Preparation of 3-(IH-imidazol-4yfl-pyridine 4-(Pyridin-3-yl)-IH-imidazole-2(3H)-thione from 3.1 above (1.Owt; 1.OOeq) is charged into the reactor followedby deionized water (8 vol). Sodium nitrite (0.58wt; 1.5 eq) is charged into the reactor. Cool the reaction mixture to5C. Add slowly 65% Nitric Acid (1.97 vol; 5eq). The lines and reactor are rinsed with deionized water (2 vol).Heat the reaction mixture to 35C during one hour and stir for not less than 6 hours maintaining the temperature.In some embodiments, the reaction mixture may be heated to 85 C (e.g. over 3 hours, with stirring for a further 2hours). Cool the mixture to 15C and charge slowly Sodium Carbonate (2.0 wt) (an alternative base is, forexample, NaOH). The solution is then heated to 30C and saturated with Sodium Chloride (2 wt). To the aqueous layer is charged Isopropanol (4 vol). After stirring for not less than 30 minutes (during which, in some embodiments, the temperature may be increased, for example to 55/60 C), phases are separated, to the aqueous layer Sodium Chloride (2 wt) is charged and the extraction of the aqueous layer is repeated I time with IPA (4vol) and 1 time with IPA (2 vol) (an alternative solvent is, for example, 2-methyl tetrahydrofuran), The mixture is concentrated under vacuum to 2 vol.The purity of the product was ascertained by HPLC, with identity confirmable by NMR (see Figures 9 and 10). The yield was consistently around 84-92% in several production runs.
  • 2
  • [ 93103-29-8 ]
  • [ 51746-85-1 ]
 

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