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Chemical Structure| 55954-27-3 Chemical Structure| 55954-27-3

Structure of 55954-27-3

Chemical Structure| 55954-27-3

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Product Details of [ 55954-27-3 ]

CAS No. :55954-27-3
Formula : C8H7Cl2NO
M.W : 204.05
SMILES Code : ClC1=C(C=CC(Cl)=C1)CC(N)=O
MDL No. :MFCD09431040
InChI Key :NAYAHQPYRSIGCX-UHFFFAOYSA-N
Pubchem ID :17190888

Safety of [ 55954-27-3 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H317
Precautionary Statements:P261-P271-P280

Application In Synthesis of [ 55954-27-3 ]

* 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 [ 55954-27-3 ]

[ 55954-27-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 18372-22-0 ]
  • [ 55954-27-3 ]
  • [ 1265131-70-1 ]
YieldReaction ConditionsOperation in experiment
71% With potassium tert-butylate; In tetrahydrofuran; at 20℃; for 5h;Inert atmosphere; To a suspension of compound 12 (1.17 g, 5.7 mmol) and compound 6 (586.5 mg, 2.9 mmol) in THF (50 mL) was added 1.0 M KOBut in THF (11.5 mL, 11.5 mmol) under nitrogen atmosphere. After stirring at ambient temperature for 5 h, thereaction mixture was quenched with 1 N HCl (50 mL) and extracted with EtOAc. The combined organic layer was washed with brine, dried over Na2SO4, and filtered. The solvent was removed in vacuo, and the crude product waspurified by column chromatography with (2:1 hexanes/acetone) to give 13 (726.0 mg, 71%) as an orange solid: mp 254 - 256 C; 1H NMR (DMSO-d6) δ 12.02 (s, 1H), 11.19 (s, 1H), 8.04 (d, J = 3.0 Hz, 1H), 7.73 (d, J = 2.0 Hz, 1H), 7.49 (dd, J = 2.0, 8.5 Hz, 1H), 7.43 (dd, J = 3.0, 8.5 Hz, 2H), 7.09-7.06 (m, 1H), 6.76-6.73 (m, 1H), 6.40(d, J = 8.0 Hz, 1H); HRMS (EI, m/z): calcd for C18H10N2O2Cl2 ([M]+) 356.0114, found 356.0126.
 

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