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Chemical Structure| 883236-47-3 Chemical Structure| 883236-47-3

Structure of 883236-47-3

Chemical Structure| 883236-47-3

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Product Details of [ 883236-47-3 ]

CAS No. :883236-47-3
Formula : C33H21NO3S3
M.W : 575.72
SMILES Code : O=CC=1SC(=CC1)C=2C=CC(=CC2)N(C=3C=CC(=CC3)C=4SC(C=O)=CC4)C=5C=CC(=CC5)C=6SC(C=O)=CC6
InChI Key :SBRXFORWSATJLQ-UHFFFAOYSA-N
Pubchem ID :60147284

Safety of [ 883236-47-3 ]

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 [ 883236-47-3 ]

* 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 [ 883236-47-3 ]

[ 883236-47-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 883236-47-3 ]
  • [ 15666-97-4 ]
  • C66H72N4O6S3 [ No CAS ]
YieldReaction ConditionsOperation in experiment
80% With triethylamine; In chloroform;Reflux; Inert atmosphere; To a solution of compound 1 (575 mg, 1 mmol) in chloroform (30 mL), <strong>[15666-97-4]octyl cyanoacetate</strong> (601 mg, 3.05 eq) and two drops of triethylamine were added, and the mixture was refluxed overnight under nitrogen. After cooling to r.t., DCM was added and the solution was washed with water and dried over MgSO4. After solvent was removed by evaporation, the residue was purified through column chromatography (silica gel, petroleum ether:ethyl acetateof 2:1 in v:v) to give target compound (890 mg) as a deep orange solid with yield of 80%. 1H NMR (300 MHz, CDCl3) (ppm): 8.28 (s, 3H), 7.75-7.73 (d, 3H, J 7.4 Hz), 7.65-7.63 (d, 6H, J 8.7 Hz),7.38-7.37 (d, 3H, J 4.0 Hz), 7.20-7.17 (d, 6H, J 8.7 Hz), 4.31-4.27 (t, 6H, J 6.7 Hz), 1.77-1.70 (m, 6H), 1.42-1.28 (m, 30H), 0.89e0.85(m, 9H). 13C NMR (75 MHz, CDCl3) (ppm): 163.1, 153.9, 147.6, 146.4,139.3, 134.6, 128.2, 127.8, 124.7, 124.7, 123.9, 116.1, 97.7, 66.6, 31.8,29.2, 29.1, 28.6, 25.8, 22.6, 14.1. FTIR (KBr, cm-1): 3023, 2956, 2924,2854, 2215 (C?N), 1719 (C?O), 1580, 1495, 1438, 1327, 1279, 1217,1189, 1096, 1066. MS (MALDI-TOF) calcd for C66H72N4O6S3 1112.461, found 1112.366. Melting point (Mp) 146.2 C. HRMS: M+ calcd for 1112.4506, found 1112.4512.
 

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