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[ CAS No. 2702-58-1 ]

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Chemical Structure| 2702-58-1
Chemical Structure| 2702-58-1
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CAS No. :2702-58-1 MDL No. :MFCD00017016
Formula : C8H6N2O6 Boiling Point : 357.0±22.0°C at 760 mmHg
Linear Structure Formula :- InChI Key :N/A
M.W :226.14 g/mol Pubchem ID :-
Synonyms :

Safety of [ 2702-58-1 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 2702-58-1 ]

  • Upstream synthesis route of [ 2702-58-1 ]
  • Downstream synthetic route of [ 2702-58-1 ]

[ 2702-58-1 ] Synthesis Path-Upstream   1~9

  • 1
  • [ 2702-58-1 ]
  • [ 2999-46-4 ]
  • [ 5930-92-7 ]
Reference: [1] Journal of the Chemical Society, Perkin Transactions 1, 2000, # 6, p. 995 - 998
  • 2
  • [ 2702-58-1 ]
  • [ 23218-93-1 ]
YieldReaction ConditionsOperation in experiment
88% With diammonium sulfide In methanol for 5 h; Reflux The solution of (NH4)2S23 used for this reaction was prepared by adding a solution of Na2S·9H2O (15.00g, 62.47mmol) in 100mL of MeOH to a suspension of NH4Cl (13.40g, 250.50mmol) in 100mL of MeOH and separating the solid material after 30min of stirring at room temperature. The resulting solution was added within 40min to a solution of 16 (6.20g, 27.42mmol) in 250mL of boiling MeOH and heated at reflux for 5h. After cooling down, the resulting precipitate of sulfur was filtered off and the pH was adjusted to 5 with 1M HCl and the solvent was removed under vacuum. The crude product was extracted with 250mL of AcOEt, washed with water, brine and dried over MgSO4 and concentrated in vacuo. Purification by silica gel column chromatography (30percent acetone in hexane) afforded pure product 17 (4.73g, 88percent) as an orange solid. 1H and 13C NMR data are in agreement with published data.24 1H NMR (400MHz, acetone-d6) δ: 7.93 (1H, dd, J 2.1, 1.4Hz, arom.), 7.71 (1H, t, J 2.2Hz, arom.), 7.67 (1H, dt J 2.2, 0.8Hz, arom.), 5.66 (2H, s, NH2), 3.91 (3H, s, OMe). 13C NMR (100MHz, acetone-d6) δ: 166.0, 151.1, 150.3, 133.1, 20.9, 112.2, 111.9, 52.8. Rf (30percent acetone/hexane) 0.37. MS(EI): m/z (percent)=197.1 (10), 196.1 (100, M+), 165.1 (33), 150.1 (20), 138.1 (8), 135.1 (22), 122.1 (35), 107.1 (17), 91.1 (23), 90.1 (10), 79.1 (8), 63.1 (20), 52.1 (9).
Reference: [1] Tetrahedron, 2016, vol. 72, # 27-28, p. 3809 - 3817
[2] Journal of Organic Chemistry, 1980, vol. 45, # 24, p. 4992 - 4993
[3] Journal of the Chemical Society, 1905, vol. 87, p. 1265
[4] Chemische Berichte, 1895, vol. 28, p. 597
[5] Recueil des Travaux Chimiques des Pays-Bas, 1921, vol. 40, p. 625
[6] Green Chemistry, 2012, vol. 14, # 8, p. 2289 - 2293
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  • [ 23218-93-1 ]
Reference: [1] Journal of the Chemical Society, 1905, vol. 87, p. 1265
  • 4
  • [ 2702-58-1 ]
  • [ 78238-12-7 ]
Reference: [1] Australian Journal of Chemistry, 1981, vol. 34, # 6, p. 1319 - 1324
[2] MedChemComm, 2018, vol. 9, # 8, p. 1293 - 1304
  • 5
  • [ 67-56-1 ]
  • [ 2702-58-1 ]
  • [ 99-34-3 ]
  • [ 78238-12-7 ]
  • [ 78238-13-8 ]
Reference: [1] Australian Journal of Chemistry, 1981, vol. 34, # 6, p. 1319 - 1324
  • 6
  • [ 2702-58-1 ]
  • [ 76045-71-1 ]
Reference: [1] Australian Journal of Chemistry, 1981, vol. 34, # 6, p. 1319 - 1324
  • 7
  • [ 2702-58-1 ]
  • [ 78238-14-9 ]
Reference: [1] Australian Journal of Chemistry, 1981, vol. 34, # 6, p. 1319 - 1324
  • 8
  • [ 2702-58-1 ]
  • [ 14206-69-0 ]
Reference: [1] Australian Journal of Chemistry, 1981, vol. 34, # 6, p. 1319 - 1324
  • 9
  • [ 2702-58-1 ]
  • [ 354512-22-4 ]
Reference: [1] ACS Medicinal Chemistry Letters, 2011, vol. 2, # 10, p. 735 - 740
[2] MedChemComm, 2018, vol. 9, # 8, p. 1293 - 1304
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