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Chemical Structure| 30955-94-3 Chemical Structure| 30955-94-3

Structure of 30955-94-3

Chemical Structure| 30955-94-3

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Product Details of [ 30955-94-3 ]

CAS No. :30955-94-3
Formula : C6H5IOS
M.W : 252.07
SMILES Code : CC(C1=CC=C(I)S1)=O
MDL No. :MFCD02093967
InChI Key :XBUCSKKBSJSRLJ-UHFFFAOYSA-N
Pubchem ID :96569

Safety of [ 30955-94-3 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H315-H319-H334-H335
Precautionary Statements:P261-P264-P271-P280-P285-P302+P352-P304+P340+P312-P332+P313-P337+P313-P342+P311-P362-P403+P233-P405-P501
Class:6.1
UN#:2811
Packing Group:

Application In Synthesis of [ 30955-94-3 ]

* 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 [ 30955-94-3 ]

[ 30955-94-3 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 30955-94-3 ]
  • [ 24372-46-1 ]
  • 3-(5-dimethylamino-2-thienyl)-1-(5-iodo-2-thienyl)-prop-2-en-1-one [ No CAS ]
  • 2
  • [ 30955-94-3 ]
  • [ 24372-46-1 ]
  • 3-(5-dimethylamino-2-thienyl)-1-(5-iodo-2-thienyl)-prop-2-en-1-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
7.9% With potassium hydroxide; In ethanol; water; at 20℃; for 3.0h; Synthesis of 3-(5-dimethylamino-2-thienyl)-1-(5-iodo-2-thienyl)-prop-2-en-1-one (37) 2-Acetyl-5-iodothiophene (123 mg, 0.49 mmol) and Compound 30 (76 mg, 0.49 mmol) were dissolved in ethanol (3 mL), and 10% aqueous potassium hydroxide (1 mL) was added dropwise with stirring. The mixture was stirred at room temperature for 3 h, then the solvent was evaporated under reduced pressure, followed by addition of 1 N aqueous sodium hydroxide, and the mixture was extracted with ethyl acetate. The mixture was dried with anhydrous sodium sulfate, then the solvent was evaporated under reduced pressure, and the residue was subjected to silica gel column chromatography using ethyl acetate/hexane (1/4) as an elution solvent to obtain compound 37. Yield 15 mg (yield rate 7.9%). 1H NMR (300 MHz, CDCl3) delta 3.07 (s, 6H), 5.85 (d, J = 4.2 Hz, 1H), 6.63 (d, J = 14.7 Hz, 1H), 7.15 (d, J = 4.5 Hz, 1H), 7.29 (d, J = 3.9 Hz, 1H), 7.38 (d, J = 4.2 Hz, 1H), 7.87 (d, J = 14.7 Hz, 1H). MS m/z 389 (M+).
  • 3
  • [ 30955-94-3 ]
  • aqueous potassium hydroxide [ No CAS ]
  • [ 24372-46-1 ]
  • 3-(S-dimethylamino-2-thienyl)-1-(5-iodo-2-thienyl)-prop-2-en-1-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
7.9% With sodium hydroxide; In ethanol; hexane; ethyl acetate; Synthesis of 3-(S-dimethylamino-2-thienyl)-1-(5-iodo-2-thienyl)-prop-2-en-1-one (37) 2-Acetyl-5-iodothiophene (123 mg, 0.49 mmol) and Compound 30 (76 mg, 0.49 mmol) were dissolved in ethanol (3 mL), and 10% aqueous potassium hydroxide (1 mL) was added dropwise with stirring. The mixture was stirred at room temperature for 3 h, then the solvent was evaporated under reduced pressure, followed by addition of 1 N aqueous sodium hydroxide, and the mixture was extracted with ethyl acetate. The mixture was dried with anhydrous sodium sulfate, then the solvent was evaporated under reduced pressure, and the residue was subjected to silica gel column chromatography using ethyl acetate/hexane (1/4) as an elution solvent to obtain compound 37. Yield 15 mg (yield rate 7.9%). 1H NMR (300 MHz, CDCl3) delta 3.07 (s, 6H), 5.85 (d, J=4.2 Hz, 1H), 6.63 (d, J=14.7 Hz, 1H), 7.15 (d, J=4.5 Hz, 1H), 7.29 (d, J=3.9 Hz, 1H), 7.38 (d, J=4.2 Hz, 1H), 7.87 (d, J=14.7 Hz, 1H). MS m/z 389 (M+).
 

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