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Chemical Structure| 57677-80-2
Chemical Structure| 57677-80-2
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Product Details of [ 57677-80-2 ]

CAS No. :57677-80-2 MDL No. :MFCD03791177
Formula : C11H9NO3S Boiling Point : -
Linear Structure Formula :- InChI Key :OIBLFOXWCGIRIQ-UHFFFAOYSA-N
M.W : 235.26 Pubchem ID :2763565
Synonyms :

Safety of [ 57677-80-2 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 57677-80-2 ]

* 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.

  • Upstream synthesis route of [ 57677-80-2 ]
  • Downstream synthetic route of [ 57677-80-2 ]

[ 57677-80-2 ] Synthesis Path-Upstream   1~5

  • 1
  • [ 1315510-08-7 ]
  • [ 57677-80-2 ]
YieldReaction ConditionsOperation in experiment
84% With sodium hydroxide In methanol at 0℃; for 2 h; General procedure: These compounds 4a-f were prepared using the general methoddescribed by Gududuru et al. [35]. Sodium hydroxide solution (1 M,2.5 mL) was added to a solution of (12a-f), 40-175 mg, in methanol(2.5 mL) at 0 °C. The solution was stirred for 2 h, and then themethanol was evaporated in vacuo. The solutionwas acidified withconc HCl and extracted with EtOAc (3 50 mL). The combinedorganic layers were washed with water (50 mL) and brine (50 mL),then dried over Na2SO4, filtered and evaporated in vacuo to affordthe corresponding carboxylic acid derivatives 4a-f.
Reference: [1] European Journal of Medicinal Chemistry, 2018, vol. 157, p. 462 - 479
  • 2
  • [ 57677-79-9 ]
  • [ 57677-80-2 ]
YieldReaction ConditionsOperation in experiment
85% With potassium hydroxide In methanol for 9 h; Reflux KOH (0.83 g) was added to a solution of compound 4 (1 g) in anhydrous methanol (15 mL) and refluxed for 9 h. After reaction, the solution was neutralised to pH 5 and poured into cool water (100 mL). The residue was filtered and dried to obtain compound 5 as a white solid: yield:85percent; m.p. 157–159 °C; 1H NMR (500 MHz, CDCl3): δ 8.20 (s, 1H),7.93 (d, J = 8.7 Hz, 2H), 6.98 (d, J = 8.4 Hz, 2H), 3.88 (s, 3H); 13C NMR(126 MHz, CDCl3): δ 169.0, 162.3, 162.0, 146.5, 128.5, 126.8, 125.1,114.5, 55.5. HRMS (ESI) m/z calcd for C11H9NNaO3S [M + Na]+:258.0195; found: 258.0202.
Reference: [1] Journal of Chemical Research, 2018, vol. 42, # 7, p. 366 - 370
[2] Justus Liebigs Annalen der Chemie, 1975, p. 1618 - 1624
  • 3
  • [ 67-56-1 ]
  • [ 57677-79-9 ]
  • [ 57677-80-2 ]
Reference: [1] Journal of Molecular Structure, 2018, vol. 1173, p. 81 - 91
  • 4
  • [ 25984-63-8 ]
  • [ 57677-80-2 ]
Reference: [1] Journal of Molecular Structure, 2018, vol. 1173, p. 81 - 91
[2] Journal of Chemical Research, 2018, vol. 42, # 7, p. 366 - 370
  • 5
  • [ 2362-64-3 ]
  • [ 57677-80-2 ]
Reference: [1] Justus Liebigs Annalen der Chemie, 1975, p. 1618 - 1624
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