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Chemical Structure| 168428-76-0 Chemical Structure| 168428-76-0

Structure of 168428-76-0

Chemical Structure| 168428-76-0

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Product Details of [ 168428-76-0 ]

CAS No. :168428-76-0
Formula : C12H17ClN2O
M.W : 240.73
SMILES Code : O=C(N(C(C)C)C(C)C)C1=NC=CC(Cl)=C1
MDL No. :MFCD08705678

Safety of [ 168428-76-0 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302
Precautionary Statements:P280-P305+P351+P338

Application In Synthesis of [ 168428-76-0 ]

* 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 [ 168428-76-0 ]

[ 168428-76-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 4728-12-5 ]
  • [ 168428-76-0 ]
  • [ 913696-69-2 ]
YieldReaction ConditionsOperation in experiment
73.9% With potassium hydroxide; In toluene; at 20℃; for 78.984h;Heating / reflux; A mixture of the 4-chloro-N,N-diisopropylpyridine-2-carboxamide (5 g, 20.8 mmol) obtained in the same manner as in the step (92a), (2,2-dimethyl-1,3-dioxan-5-yl)methanol (3.34 g, 22.8 mmol) obtained in the same manner as in the step (11a), potassium hydroxide (2.57 g, 45.8 mmol) and toluene (50 ml) was heated under reflux equipped with a Dean-Stark devise for 7 hours and stirred at room temperature for 3 days. The reaction mixture was washed with water and a saturated saline solution, dried over magnesium sulfate and filtrated. The filtrate was concentrated under reduced pressure and the residue was dissolved in toluene-heptane-ethyl acetate and subjected to NH silica gel column chromatography (elution solvent: n-heptane/ethyl acetate=2/1-->1/1). The fraction containing a desired product was concentrated and the solid residue was washed with heptane and collected by filteration to obtain the title compound (5.39 g, 73.9percent) as a white solid. 1H NMR(400 MHz, DMSO-d6) Deltappm; 1.09(6H, d, J=7 Hz), 1.23(3H, s), 1.36(3H, s), 1.43(6H, d, J=6 Hz), 2.02-2.10(1H, m), 3.51-3.65(2H, m), 3.74(2H, dd, J=6, 12 Hz), 3.98(2H, dd, J=4, 12 Hz), 4.16(2H, d, J=7 Hz), 6.95-7.00(2H, m), 8.33(1H, d, J=6 Hz).
 

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