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Chemical Structure| 79128-78-2 Chemical Structure| 79128-78-2

Structure of 79128-78-2

Chemical Structure| 79128-78-2

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Product Details of [ 79128-78-2 ]

CAS No. :79128-78-2
Formula : C9H8O5
M.W : 196.16
SMILES Code : O=C(O)C1=CC(C(OC)=O)=CC=C1O
MDL No. :MFCD16987712
InChI Key :LIQLYTSJSBMCAH-UHFFFAOYSA-N
Pubchem ID :12717060

Safety of [ 79128-78-2 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H332-H335
Precautionary Statements:P280-P305+P351+P338-P310

Application In Synthesis of [ 79128-78-2 ]

* 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 [ 79128-78-2 ]

[ 79128-78-2 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 67-56-1 ]
  • [ 636-46-4 ]
  • [ 79128-78-2 ]
  • [ 5985-24-0 ]
  • 2
  • [ 5985-24-0 ]
  • [ 79128-78-2 ]
YieldReaction ConditionsOperation in experiment
With pyridine;Heating / reflux; (1) A mixture of <strong>[5985-24-0]dimethyl 4-hydroxyisophthalate</strong> (10 g) and pyridine (100 ml) was heated at reflux overnight. After cooling, 6 M hydrochloric acid was added to the reaction solution. The thus-precipitated crystals were filtered, thereby giving 9.15 g of methyl 3-carboxy-4-hydroxybenzoate.(2) A mixture of methyl 3-carboxy-4-hydroxybenzoate (3.92 g), N,N-dimethylformamide di-tert-butyl acetal (19.19 ml) and toluene (50 ml) was heated at reflux for 1 hour. After cooling, the reaction solution was diluted with toluene, washed with 10percent citric acid solution and dried over MgSO4. The solvent was evaporated under reduced pressure, and the residue was purified by silica gel column chromatography (eluent: ethyl acetate/hexane = 1/20), thereby giving 4.00 g of methyl 3-tert-butyloxycarbonyl-4-hydroxy-benzoate.(3) To a mixture of 1.00 g of the methyl 3-tert-butyloxycarbonyl-4-hydroxybenzoate and dioxane (10 ml) was added a 1 M aqueous sodium hydroxide solution (16 ml) at 25°C and stirred overnight. The reaction solution was neutralized with 1 M hydrochloric acid, extracted with ethyl acetate, and dried over MgSO4. The solvent was evaporated under reduced pressure, thereby giving 0.78 g of 3-tert-butyloxycarbonyl-4-hydroxybenzoic acid.(4) Using this 3-tert-butyloxycarbonyl-4-hydroxybenzoic acid, a reaction and treatment was carried out in the same manner as in Reference Example 80, thereby giving the desired compound.
 

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