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Chemical Structure| 300567-24-2 Chemical Structure| 300567-24-2

Structure of 300567-24-2

Chemical Structure| 300567-24-2

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Product Details of [ 300567-24-2 ]

CAS No. :300567-24-2
Formula : C12H13NO6S
M.W : 299.30
SMILES Code : O=C(OC)C1=CC=C(SCCC(OC)=O)C([N+]([O-])=O)=C1
MDL No. :MFCD00703854
InChI Key :XYRFGRPUSVXKBF-UHFFFAOYSA-N
Pubchem ID :722902

Safety of [ 300567-24-2 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319
Precautionary Statements:P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362

Application In Synthesis of [ 300567-24-2 ]

* 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 [ 300567-24-2 ]

[ 300567-24-2 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 14719-83-6 ]
  • [ 2935-90-2 ]
  • [ 300567-24-2 ]
YieldReaction ConditionsOperation in experiment
97% With potassium carbonate; In N,N-dimethyl-formamide; at 20.0℃; for 16.0h; To a solution of methyl 4-chloro-3-nitrobenzoate (4.53 g, 0.021 mol) and methyl 3- mercaptopropionate (2.78 g, 0.023 mol) in DMF (15 mL) was added anhydrous potassium carbonate (0.023 mol, 3.17g). After stirring at ambient temperature for 16 h, the reaction was quenched with ice water. The precipitated product was filtered, washed well with water and dried under vacuum to give the title compound as a bright yellow solid (6.11 g,97%) which was used without further purification: LC/MS (ES) m/z 300 (M+H)+
  • 2
  • [ 300567-24-2 ]
  • [ 724790-44-7 ]
YieldReaction ConditionsOperation in experiment
100% With iron; acetic acid; at 75.0℃; for 6.0h; To a solution of <strong>[300567-24-2]methyl 4-[3-(methoxy)-3-oxopropyl]thio}-3-nitrobenzoate</strong> (7.58 g, 0.025 mol) in glacial acetic acid (186 ml_) was added iron powder (14.0 g, 0.250 mmol). After heating at 75e for 6 h, the warm mixture was filtered and the filtrate concentrated under reduced pressure. The residue was partitioned between ethyl acetate and aqueous sodium chloride. The organic layer was dried over MgSO4 and concentrated to provide the title compound as an off-white solid (7.03g, quantit), which was used without further purification: LC/MS (ES) m/z270 (M+H)+
 

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