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Chemical Structure| 13736-22-6 Chemical Structure| 13736-22-6

Structure of 13736-22-6

Chemical Structure| 13736-22-6

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Product Details of [ 13736-22-6 ]

CAS No. :13736-22-6
Formula : C7H5NaO4S
M.W : 208.17
SMILES Code : O=S(C1=CC=C(C=O)C=C1)([O-])=O.[Na+]
MDL No. :MFCD06657562
InChI Key :FZPPRCKGVCCJSG-UHFFFAOYSA-M
Pubchem ID :23663655

Safety of [ 13736-22-6 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H332-H335
Precautionary Statements:P261-P280-P305+P351+P338

Application In Synthesis of [ 13736-22-6 ]

* 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 [ 13736-22-6 ]

[ 13736-22-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 13736-22-6 ]
  • [ 85822-16-8 ]
YieldReaction ConditionsOperation in experiment
With thionyl chloride; for 0.5h;Heating / reflux; A suspension of 4-formylbenzenesulfonic acid sodium salt (1.0 g, 4.78 mM) in excess of thionylchloride (15 ml) was heated to reflux for 30 minutes. The mixture was then concentrated to dryness, dissolved in anhydrous THF (20 ml). The mixture was cooled (ice-bath) to which was added excess of ammonia (5 ml, 1.0M solution in THF) and the suspension was stirred for 3 hrs at ambient temperature. The reaction was quenched with ice-cold water where up on the amide precipitated out. It was filtered, washed with water and vacuum dried overnight. Efforts were not made to purify the amide and it was used as such in the subsequent reaction. The crude amide was dissolved in methanol (20 ml) and subjected to condensation with N-tert-butylhydroxylamine hydrochloride (0.72 g, 5.74 mM) at refluxing temperature for 6 hrs. Concentration of the mixture followed by silicagel column chromatography afforded the title compound as a white solid. MS: m/z 257 (MH+). 1H NMR delta 1.51(s, 9H); 7.39(brs, 2H); 7.83(d, J=8.8 Hz, 2H); 7.99(s, 1H); 8.49 (d, J=8.8 Hz, 2H).
 

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