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Chemical Structure| 31061-24-2 Chemical Structure| 31061-24-2

Structure of 31061-24-2

Chemical Structure| 31061-24-2

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Product Details of [ 31061-24-2 ]

CAS No. :31061-24-2
Formula : C5H5NO4S
M.W : 175.16
SMILES Code : O=C(O)CN1C(SCC1=O)=O
MDL No. :MFCD01579950
InChI Key :WHBNKGILKCASDH-UHFFFAOYSA-N
Pubchem ID :2770836

Safety of [ 31061-24-2 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 31061-24-2 ]

* 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.

  • Downstream synthetic route of [ 31061-24-2 ]

[ 31061-24-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 2314-36-5 ]
  • [ 31061-24-2 ]
  • (Z)-5-(3‘,5‘-dichloro-4’-hydroxyphenylmethylidene)-3-hydroxycarbonylmethyl-2,4-dioxothiazolidine [ No CAS ]
YieldReaction ConditionsOperation in experiment
57% With sodium acetate; acetic acid; at 140℃; for 0.5h;Sealed tube; Microwave irradiation; [00293] A mixture of <strong>[2314-36-5]3,5-dichloro-4-hydroxybenzaldehyde</strong> (0.75 mmol, 145 mg), 3- hydroxycarbonylmethyl-2,4-dioxothiazolidine (0.75 mmol, 134 mg) and anhydrous sodium acetate (2.25 mmol, 187 mg) in glacial acetic acid (0.75 mL) was thoroughly mixed in an appropriate 10 mL thick-walled glass vial. This was tightly sealed with a Teflon cap and the reaction mixture was stirred and heated at 140 °C for 30 minutes, under focused microwave irradiation, with an initial power setting of 75 W. After cooling to room temperature, the crude product mixture was poured over distilled water and crushed-ice and the yellowish solid that precipitated was filtered under reduced pressure, washed with distilled water, recrystallized from dichloromethane and dried at room temperature under vacuum, yielding the desired compound as a yellow solid. Yield: 57percent, 150 mg; mp (°C): 256-258; FT-IR (v, cm?): 3480, 3070, 2990, 2945, 1753, 1712, 1686, 1605, 1584, 1557, 1485, 1443, 1404, 1372, 1311, 1296, 1250, 1218, 1152, 1095, 1007, 969, 911, 856, 808, 774, 740, 715, 705, 684, 600, 560, 523; UV-vis (CH3OH): Xmax, nm (relative absorbance, percent) = 219 (77.6), 248 (58.7), 342.5 (100); ?H NMR (400 MHz, (CD3)2S0):oe, ppm = 7.90 (1H, s, CH), 7.67 (2H, s, ArH), 4.38 (2H, s, CH2); ?3C NMR (100 MHz, (CD3)2S0): oe, ppm = 167.9, 166.4, 164.8, 151.4, 131.6, 130.3, 125.6, 122.9, 119.9, 42.3); HR-MS (ESI): mlz = 347.949 14 ([M + Hj, C,2H8C12N05S required 347.94947).
 

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