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Chemical Structure| 13207-63-1 Chemical Structure| 13207-63-1

Structure of 13207-63-1

Chemical Structure| 13207-63-1

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Product Details of [ 13207-63-1 ]

CAS No. :13207-63-1
Formula : C9H6INO
M.W : 271.06
SMILES Code : OC1=C2N=CC=CC2=C(I)C=C1
MDL No. :MFCD18414851

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Application In Synthesis of [ 13207-63-1 ]

* 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 [ 13207-63-1 ]

[ 13207-63-1 ] Synthesis Path-Downstream   1~3

  • 2
  • [ 83-73-8 ]
  • [ 148-24-3 ]
  • [ 13207-63-1 ]
  • [ 7385-89-9 ]
YieldReaction ConditionsOperation in experiment
51% With carbon monoxide; glycine ethyl ester hydrochloride; palladium diacetate; triethylamine; triphenylphosphine; In N,N-dimethyl-formamide; at 50℃; under 52505.3 Torr; for 24h; General procedure: In a typical reaction 5.6 mg (0.025 mmol) of Pd(OAc)2 and 13.1 mg (0.05 mmol) of PPh3 together with 1 mmol of substrate (1) were placed into a 100 mL autoclave equipped with a magnetic stirring bar. The atmosphere was changed to argon and all the solid substances were dissolved in 10 mL of DMF, then 0.5 mL of triethylamine and 0.6 mL (6 mmol) tert-butylamine (d) (or 3 mmol of a, b; 4 mmol of c) were added. The atmosphere was changed to carbon monoxide, the autoclave was pressurized by carbon monoxide to the given pressure and the reaction mixture was kept at 50 C for the given reaction time. The solvent was evaporated to dryness and the residue dissolved in chloroform. It was washed three times with water and brine. The organic phase was dried over Na2SO4 and evaporated. The carboxamides were isolated via column chromatography by using chloroform/ethyl acetate mixtures as eluents (for exact ratios see analytical characterization below).
  • 3
  • [ 83-73-8 ]
  • [ 13207-63-1 ]
  • [ 7385-89-9 ]
YieldReaction ConditionsOperation in experiment
45% With carbon monoxide; palladium diacetate; tert-butylamine; triethylamine; triphenylphosphine; In N,N-dimethyl-formamide; at 50℃; under 750.075 Torr; for 70h; General procedure: In a typical reaction 5.6 mg (0.025 mmol) of Pd(OAc)2 and 13.1 mg (0.05 mmol) of PPh3 together with 1 mmol of substrate (1) were placed into a 100 mL autoclave equipped with a magnetic stirring bar. The atmosphere was changed to argon and all the solid substances were dissolved in 10 mL of DMF, then 0.5 mL of triethylamine and 0.6 mL (6 mmol) tert-butylamine (d) (or 3 mmol of a, b; 4 mmol of c) were added. The atmosphere was changed to carbon monoxide, the autoclave was pressurized by carbon monoxide to the given pressure and the reaction mixture was kept at 50 C for the given reaction time. The solvent was evaporated to dryness and the residue dissolved in chloroform. It was washed three times with water and brine. The organic phase was dried over Na2SO4 and evaporated. The carboxamides were isolated via column chromatography by using chloroform/ethyl acetate mixtures as eluents (for exact ratios see analytical characterization below).
 

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