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Chemical Structure| 22214-31-9 Chemical Structure| 22214-31-9

Structure of 22214-31-9

Chemical Structure| 22214-31-9

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(E)-4-(Benzo[d][1,3]dioxol-5-yl)but-3-en-2-one

CAS No.: 22214-31-9

,97%

4.5 *For Research Use Only !

Cat. No.: A1502303 Purity: 97%

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    Product Details of [ 22214-31-9 ]

    CAS No. :22214-31-9
    Formula : C11H10O3
    M.W : 190.20
    SMILES Code : CC(/C=C/C1=CC=C2C(OCO2)=C1)=O
    MDL No. :MFCD00016907

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    Application In Synthesis of [ 22214-31-9 ]

    * 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 [ 22214-31-9 ]

    [ 22214-31-9 ] Synthesis Path-Downstream   1~1

    • 1
    • [ 50-00-0 ]
    • [ 80567-00-6 ]
    • [ 22214-31-9 ]
    • 5-(2,6-dimethylmorpholinyl)-1-(3,4-methylenedioxyphenyl)-1-penten-3-one hydrochloride [ No CAS ]
    YieldReaction ConditionsOperation in experiment
    65.2% 0.30g (2.0mmol) of <strong>[80567-00-6]2,6-dimethylmorpholine hydrochloride</strong> and 0.15g (5mmol) of paraformaldehyde were dissolved in anhydrous ethanol (10ml). The pH value of the solution was adjusted to pH =1.5-2.0 with concentrated hydrochloric acid and the reaction mixture was refluxed and stirred for 2hr. After the solid was dissolved, 0.38g (2.0mmol) of 4-(3,4-methylenedioxyphenyl)-3-buten-2-one (prepared as described in preparation 15) was added to the above reaction mixture. The solution was further refluxed and stirred for 11hr. After cooling with cold water bath, the precipitated pale yellow solid was collected by filtration and then recrystallized from anhydrous ethanol - methanol and dried to give 0.46g of white crystals, yield: 65.2 %, mp: 178-181C. 1HNMRδppm (DMSO-d6): 1.11(d, 6H, J=6.6Hz, 2 x CHCH3), 2.47-2.68 (m, 6H, 3NCH2), 3.26-3.46(t, 2H, COCH2), 3.89(q, 2H, J=6.6Hz, 2 x CHCH3), 6.08(s, 2H, OCH2O), 6.77(d, 1H, J=16.2Hz, =CHCO), 6.98(d, 1H, J=8.4Hz,ArH), 7.20(dd, 1H, J=8.4Hz, J=1.5Hz, ArH), 7.39(d, 1H, J=1.5Hz, ArH), 7.61(d, 1H, J=16.2Hz, CH=). MS (m/z): 317(M+, 45), 302(M+-15, 3), 272(M+-45, 5), 202(M+-115, 90). Anal. Cald. for C22H31N2O5Cl: C:61.10%, H:6.78%, N: 3.96%; Found: C: 61.23%, H:6.59%, N:3.98%.
     

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