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Chemical Structure| 106748-24-7 Chemical Structure| 106748-24-7

Structure of 106748-24-7

Chemical Structure| 106748-24-7

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Product Details of [ 106748-24-7 ]

CAS No. :106748-24-7
Formula : C9H9NO3
M.W : 179.17
SMILES Code : O=C(OC)C1=CC=CC(C(N)=O)=C1
MDL No. :MFCD06245500
InChI Key :MNDFXDXRMYURMC-UHFFFAOYSA-N
Pubchem ID :184711

Safety of [ 106748-24-7 ]

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

Application In Synthesis of [ 106748-24-7 ]

* 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 [ 106748-24-7 ]

[ 106748-24-7 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 106748-24-7 ]
  • [ 4481-28-1 ]
YieldReaction ConditionsOperation in experiment
With water; sodium hydroxide; In methanol; at 20℃; NaOH (107 mg, 2.68 mmol, 5.0 equiv.), in water (1.5 mL) wasadded in a solution of 23 (96 mg, 0.54 mmol,1.0 equiv.) in methanol(1.5 mL) and the resulting mixture was stirred at rt overnight. Themethanol was evaporated and the aqueous phase was acidifieduntil pH 2 using a solution of HCl 1N. The solid was filtered, and 24i was obtained as a white solid (72 mg, 0.44 mmol, 82%). 1H NMR(400 MHz, DMSO-d6) delta ppm 7.48 (s, 1H), 7.58 (t, 1H, J 7.7 Hz), 8.09(ddt, 2H, J 1.6 Hz, J 7.7 Hz, J 12.9 Hz), 8.15-8.18 (m, 1H), 8.45 (t,1H, J 1.6 Hz), 13.18 (s, 1H); 13C NMR (101 MHz, DMSO-d6) delta ppm128.9, 129.1, 131.4, 132.1, 132.3, 135.2, 167.4, 167.6.
  • 2
  • [ 106748-24-7 ]
  • [ 13531-48-1 ]
  • 3
  • [ 106748-24-7 ]
  • methanolic NaOH-solution [ No CAS ]
  • [ 4481-28-1 ]
  • 4
  • [ 925159-45-1 ]
  • [ 4481-28-1 ]
  • [ 106748-24-7 ]
  • 5
  • [ 13531-48-1 ]
  • [ 106748-24-7 ]
YieldReaction ConditionsOperation in experiment
91% With cobalt(II) chloride hexahydrate; oxygen; ethylenediamine; zinc; In neat (no solvent); at 120℃; under 3800.26 Torr; for 12h;Autoclave; General procedure: The reaction was carried out in a 100-mL stainless steel autoclave. Phenylcyanide (0.10 g, 1.00 mmol) was added to a mixture of ethylenediamine (0.12 g, 2.00 mmol), CoCl26H2O (0.24 g, 1.00 mmol) and Zn (0.07 g, 1.00 mmol) and the vessel was placed in an autoclave. For some of the reactions that were carried out in solvent, 5 mL of solvent was also added. The autoclave was pressurized to 5.00 atm with O2. The mixture was stirred in a preheated oil bath at 120 C for 12 h. Then, the reaction mixture was cooled to room temperature and the product was purified by column chromatography on silica gel using n-hexane:CH2Cl2 (1:1) to give the benzamide(88 % yield).
 

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