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Chemical Structure| 67831-84-9 Chemical Structure| 67831-84-9

Structure of 7-Deaza-2-mercaptohypoxanthine
CAS No.: 67831-84-9

Chemical Structure| 67831-84-9

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Product Details of [ 67831-84-9 ]

CAS No. :67831-84-9
Formula : C6H5N3OS
M.W : 167.19
SMILES Code : O=C(N1)C2=C(NC=C2)NC1=S
MDL No. :MFCD12196502
InChI Key :QCZHCRBHXAFBDJ-UHFFFAOYSA-N
Pubchem ID :4091939

Safety of [ 67831-84-9 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302
Precautionary Statements:P280-P305+P351+P338

Application In Synthesis of [ 67831-84-9 ]

* 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 [ 67831-84-9 ]

[ 67831-84-9 ] Synthesis Path-Downstream   1~3

  • 2
  • [ 52133-67-2 ]
  • [ 17356-08-0 ]
  • [ 67831-84-9 ]
YieldReaction ConditionsOperation in experiment
87% With sodium ethanolate; at 108℃; for 3h; To a 1 M solution of NaOEt (2.4mL) were added thiourea (183 mg, 2.40 mmol, 1.0 eq) and 2-cyano-4,4-diethoxybutyrate (500 mg, 2.18mmol, 0.91 eq) and the reaction mixture was refluxed (108 °C) for 3 h. The solvent was removed in vacuo and the residue was portioned between water and diethyl ether. After phase separation the aqueous phase was acidified with acetic acid (140 muL, 2.40 mmol) and the resulting precipitate was filtered and resuspended in THF (3 mL). After the addition of 6 M HCl (200 muL) the reaction mixture was stirred at room temperature for 14 h before it was diluted with diethyl ether (5 mL) and the precipitated product was filtered and dried under vacuum (Yield: 188 mg, 87percent)
  • 3
  • [ 52133-67-2 ]
  • [ 67831-84-9 ]
 

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