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Chemical Structure| 1057107-39-7 Chemical Structure| 1057107-39-7

Structure of 1057107-39-7

Chemical Structure| 1057107-39-7

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Product Details of [ 1057107-39-7 ]

CAS No. :1057107-39-7
Formula : C12H12O4
M.W : 220.22
SMILES Code : O=C(O)C1=CC=C(C2C(C(OC)=O)C2)C=C1
MDL No. :MFCD22393665
InChI Key :CNRLZWCRQCKPSD-UHFFFAOYSA-N
Pubchem ID :59205706

Safety of [ 1057107-39-7 ]

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

Application In Synthesis of [ 1057107-39-7 ]

* 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 [ 1057107-39-7 ]

[ 1057107-39-7 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 1774-47-6 ]
  • [ 115974-97-5 ]
  • [ 1057107-39-7 ]
YieldReaction ConditionsOperation in experiment
2.2 eq NaH (60% dispersion in oil) and 2.5 eq trimethylsulfoxonium iodide were weighed into a dry flask under nitrogen. 20 ml anhydrous DMSO was added and the reaction stirred one hour at room temperature. The intermediate acid E117b (6.8 mmol), dissolved in 6 ml anhydrous DMSO was added dropwise. After 2.5 hours at room temperature, the reaction was poured into 1N HCl and extracted with EtOAc. The combined organic layers were washed with a minimal amount of aqueous sodium thiosulfate then brine. The combined organic layers were then dried over MgSO4, filtered and concentrated to provide the intermediate cyclopropane E117c. The material E117c was used without further purification.
  • 2
  • [ 1057107-39-7 ]
  • C12H11ClO3 [ No CAS ]
YieldReaction ConditionsOperation in experiment
With oxalyl dichloride;N,N-dimethyl-formamide; In dichloromethane; for 1.5h; The intermediate cyclopropane (0.95 mmol) was dissolved in 5 ml anhydrous CH2Cl2 under nitrogen. Two drops of anhydrous DMF were added followed by 1.1 eq. of oxalyl chloride. After 1.5 hours, this solution was added dropwise to a solution of 1.0 eq. of 4-phenoxyaniline and 1.2 eq. Et3N dissolved in 5 ml CH2Cl2. The reaction was left at room temperature overnight then poured into water. The aqueous layer was extracted with CH2Cl2. The combined organic layers were dried over MgSO4, filtered and concentrated. The intermediate amide was purified by flash chromatography.
 

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