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Chemical Structure| 93116-99-5 Chemical Structure| 93116-99-5

Structure of 93116-99-5

Chemical Structure| 93116-99-5

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Product Details of [ 93116-99-5 ]

CAS No. :93116-99-5
Formula : C9H7IO4
M.W : 306.05
SMILES Code : O=C(O)C1=CC(C(OC)=O)=CC(I)=C1
MDL No. :MFCD09029574
InChI Key :NDJVBDKXAJSYFV-UHFFFAOYSA-N
Pubchem ID :15840391

Safety of [ 93116-99-5 ]

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

Application In Synthesis of [ 93116-99-5 ]

* 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 [ 93116-99-5 ]

[ 93116-99-5 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 28179-47-7 ]
  • [ 93116-99-5 ]
YieldReaction ConditionsOperation in experiment
55% To an ice-cold, stirred solution of commercially available 3-amino-5- (methoxycarbonyl) benzoic acid (5.19 g, 26.59 mmol) in 2 N hydrochloric acid (156 mL) was added a solution of sodium nitrite (1.84 g, 26.67 mmol) in water (10.8 mL). This mixture was then added dropwise to an ice-cold, stirred solution of potassium iodide (8.84 g, 53.25 mmol) in water (26.2 mL). After stirring for 35 min, the reaction mixture was diluted with water <Desc/Clms Page number 175>and extracted with ethyl acetate. The organic layer was washed with5% aqueous sodium thiosulfate, and saturated sodium chloride, dried (sodium sulfate), and concentrated under reduced pressure. Purification by flash column chromatography (silica, 50 : 50 : 2 hexanes/ethyl acetate/acetic acid) afforded the title compound (4.48 g, 55% yield) as an off-white solid. ESI-MS (m/z) : 305 [M +H] +
 

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