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Chemical Structure| 3680-93-1 Chemical Structure| 3680-93-1

Structure of 3680-93-1

Chemical Structure| 3680-93-1

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Product Details of [ 3680-93-1 ]

CAS No. :3680-93-1
Formula : C7H9NO2
M.W : 139.15
SMILES Code : O=CC1=CC=C(N(C)C)O1
MDL No. :MFCD00159500

Safety of [ 3680-93-1 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319
Precautionary Statements:P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

Application In Synthesis of [ 3680-93-1 ]

* 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 [ 3680-93-1 ]

[ 3680-93-1 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 3199-50-6 ]
  • [ 3680-93-1 ]
  • 1-(5-bromo-2-furyl)-3-(5-dimethylamino-2-furyl)-prop-2-en-1-one [ No CAS ]
  • 2
  • [ 3199-50-6 ]
  • aqueous potassium hydroxide [ No CAS ]
  • [ 3680-93-1 ]
  • 1-(5-bromo-2-furyl)-3-(5-dimethylamino-2-furyl)-prop-2-en-1-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
17.7% With sodium hydroxide; In ethanol; hexane; ethyl acetate; Synthesis of 1-(5-bromo-2-furyl)-3-(5-dimethylamino-2-furyl)-prop-2-en-1-one (34) Compound 29 (100 mg, 0.53 mmol) and Compound 28 (78 mg, 0.56 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 40 min, 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 34. Yield 29 mg (yield rate 17.7%). 1H NMR (300 MHz, CDCl3) delta 3.05 (s, 6H), 5.25 (d, J=3.6 Hz, 1H), 6.48 (d, J=3.3 Hz, 1H), 6.78-6.83 (m, 2H), 7.14 (d, J=3.3 Hz, 1H), 7.49 (d, J=14.7 Hz, 1H). MS m/z 311 (MH+).
  • 3
  • [ 3199-50-6 ]
  • [ 3680-93-1 ]
  • 1-(5-bromo-2-furyl)-3-(5-dimethylamino-2-furyl)-prop-2-en-1-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
17.7% With potassium hydroxide; In ethanol; water; at 20℃; for 0.666667h; Synthesis of 1-(5-bromo-2-furyl)-3-(5-dimethylamino-2-furyl)-prop-2-en-1-one (34) Compound 29 (100 mg, 0.53 mmol) and Compound 28 (78 mg, 0.56 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 40 min, 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 34. Yield 29 mg (yield rate 17.7%). 1H NMR (300 MHz, CDCl3) delta 3.05 (s, 6H), 5.25 (d, J = 3.6 Hz, 1H), 6.48 (d, J = 3.3 Hz, 1H), 6.78-6.83 (m, 2H), 7.14 (d, J = 3.3 Hz, 1H), 7.49 (d, J = 14.7 Hz, 1H). MS m/z 311 (MH+).
 

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