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Chemical Structure| 53279-72-4 Chemical Structure| 53279-72-4

Structure of HTBA
CAS No.: 53279-72-4

Chemical Structure| 53279-72-4

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Product Details of [ 53279-72-4 ]

CAS No. :53279-72-4
Formula : C7H3I3O3
M.W : 515.81
SMILES Code : O=C(O)C1=C(I)C=C(I)C(O)=C1I
English Name :3-Hydroxy-2,4,6-triiodobenzoic acid
MDL No. :MFCD00020305
InChI Key :GIAVHGFPMPSIFI-UHFFFAOYSA-N
Pubchem ID :96627

Safety of [ 53279-72-4 ]

Application In Synthesis of [ 53279-72-4 ]

* 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 [ 53279-72-4 ]

[ 53279-72-4 ] Synthesis Path-Downstream   1~11

  • 1
  • [ 53279-72-4 ]
  • [ 1806332-87-5 ]
YieldReaction ConditionsOperation in experiment
With lithium aluminium tetrahydride In diethyl ether for 2h; Heating;
  • 2
  • [ 99-06-9 ]
  • [ 53279-72-4 ]
YieldReaction ConditionsOperation in experiment
With ammonium hydroxide; Iodine monochloride; sodium chloride
YieldReaction ConditionsOperation in experiment
Rk. mit Zn/AcOH;
Rk. mit Al/wss. NaOH;
YieldReaction ConditionsOperation in experiment
entspr.Phenol, ICl, NH3;
  • 5
  • [ 2051-76-5 ]
  • [ 53279-72-4 ]
  • [ 2365519-47-5 ]
YieldReaction ConditionsOperation in experiment
With sulfuric acid In chloroform at 10 - 40℃; for 48h; 3.1; 7.1 (1) Synthesis of 3-acrylate-2,4,6-triiodobenzoic acid 45 g of 3-hydroxy-2,4,6-triiodobenzoic acid and 2 mL of concentrated sulfuric acid were added to 500 mL of chloroform, and after stirring evenly, the system was cooled to 10° C., and 150 mL of acrylic anhydride was slowly added dropwise.After the dropwise addition, the reaction was carried out at 40° C. for 48 hours. After the reaction was completed, the mixture was cooled to room temperature, washed with acetonitrile, and dried to obtain 3-acrylate-2,4,6-triiodobenzoic acid.
  • 6
  • [ 53279-72-4 ]
  • [ 3016283-40-9 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: potassium carbonate; sodium iodide / N,N-dimethyl-formamide / 18 h / 85 °C 2: potassium carbonate / N,N-dimethyl-formamide / 3 h / 30 °C
  • 7
  • [ 53279-72-4 ]
  • [ 3016283-41-0 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: potassium carbonate; sodium iodide / N,N-dimethyl-formamide / 18 h / 85 °C 2: potassium carbonate / N,N-dimethyl-formamide / 3 h / 30 °C 3: triethylamine; dmap / dichloromethane / 4 h / Cooling with ice
  • 8
  • [ 53279-72-4 ]
  • [ 3016283-42-1 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: potassium carbonate; sodium iodide / N,N-dimethyl-formamide / 18 h / 85 °C 2: potassium carbonate / N,N-dimethyl-formamide / 3 h / 30 °C 3: triethylamine; dmap / dichloromethane / 4 h / Cooling with ice 4: methanesulfonic acid / dichloromethane / 7 h / 40 °C
  • 9
  • [ 53279-72-4 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 5 steps 1: potassium carbonate; sodium iodide / N,N-dimethyl-formamide / 18 h / 85 °C 2: potassium carbonate / N,N-dimethyl-formamide / 3 h / 30 °C 3: triethylamine; dmap / dichloromethane / 4 h / Cooling with ice 4: methanesulfonic acid / dichloromethane / 7 h / 40 °C 5: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 20 h / 20 °C
  • 10
  • [ 53279-72-4 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 6 steps 1: potassium carbonate; sodium iodide / N,N-dimethyl-formamide / 18 h / 85 °C 2: potassium carbonate / N,N-dimethyl-formamide / 3 h / 30 °C 3: triethylamine; dmap / dichloromethane / 4 h / Cooling with ice 4: methanesulfonic acid / dichloromethane / 7 h / 40 °C 5: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 20 h / 20 °C 6: polymerization inhibitor / water / 2 h / 20 °C
  • 11
  • [ 96-49-1 ]
  • [ 53279-72-4 ]
  • [ 3016283-39-6 ]
YieldReaction ConditionsOperation in experiment
12 g With potassium carbonate; sodium iodide In N,N-dimethyl-formamide at 85℃; 1-3.1 (1) Synthesis of Compound C-19 15 g of Reactant C-15, 6 g of ethylene carbonate, 12 g of potassium carbonate, and 105 g of DMF were mixed and stirred at 85° C. for 18 hours. At the end of stirring, the solution was ice cooled, and 83 g of 10 wt % hydrochloric acid was added to quench the reaction. 200 g of deionized water was added to the solution, which was stirred for 30 minutes. The precipitate was collected by filtration and dissolved in a mixture of 120 g of ethyl acetate and 30 g of THF. Thereafter, 50 g of deionized water was added and stirred for 10 minutes. The organic layer was taken out and subjected to ordinary aqueous work-up. After the solvent was distilled off, 35 g of hexane was added to the residue and stirred for 1 hour. Crystallization was followed by filtration. The solid was vacuum dried, obtaining 12 g of Compound C-16 as solids. The1H-NMR (500 MHz, DMSO-ds) spectrum of Compound C-16 is shown inFIG.15.
 

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