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Chemical Structure| 2976-32-1 Chemical Structure| 2976-32-1

Structure of 2976-32-1

Chemical Structure| 2976-32-1

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Product Details of [ 2976-32-1 ]

CAS No. :2976-32-1
Formula : C7H7NO4S
M.W : 201.20
SMILES Code : O=[N+](C1=CC(S(=O)(C)=O)=CC=C1)[O-]
MDL No. :MFCD00091590
InChI Key :FTJMAAWQEAOBBI-UHFFFAOYSA-N
Pubchem ID :76312

Safety of [ 2976-32-1 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302
Precautionary Statements:P280-P305+P351+P338

Application In Synthesis of [ 2976-32-1 ]

* 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 [ 2976-32-1 ]

[ 2976-32-1 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 2976-32-1 ]
  • [ 35216-39-8 ]
YieldReaction ConditionsOperation in experiment
With hydrogen;palladium 10% on activated carbon; In methanol; for 2.333h;Inert atmosphere; 2.0 g (0.0098 mol) of 4 was dissolved in 100 mL of methanol, and an aqueous suspension of Pd/C (10 %) was added under Ar atmosphere. The reaction mixture was additionally purged under Ar for 20 min. At this time, the reaction mixture was hydrogenated until the reduction was compiete. The reaction was stirred for 2 h. The precipitate was carefully filtered and the residue was collected under reduced pressure. Compound 5 was crystallized from ether and dried on air. The crude yield was 89 % (1.5 g).
  • 2
  • [ 35216-39-8 ]
  • [ 2976-32-1 ]
YieldReaction ConditionsOperation in experiment
87% With 3-chloro-benzenecarboperoxoic acid; In 1,2-dichloro-ethane; for 10h;Reflux; General procedure: m-CPBA(1.7 g, 8.0 mmol, 85%) was dissolved in 1,2-dichloroethane (15.0 mL) in a threeneckflask equipped with a condenser and heated to reflux (at rt in case of 1b).Then, the substrate aromatic amine (2.0 mmol) dissolved in 1,2-dichloroethane(5.0 mL) was added dropwise to the refluxing peracid solution. After 10 h, themixture was cooled to rt and quenched with saturated aqueous Na2S2O3. Thesolvent was removed under reduced pressure and the residue was treated with10% NaOH solution followed by extraction with EtOAc. The combined extracts were washed with H2O and brine, dried over anhydrous Na2SO4. Removal of thesolvent under vacuum afforded the crude product, which was purified bycolumn chromatography using hexane/ethyl acetate as eluant.
 

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