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Chemical Structure| 945955-11-3 Chemical Structure| 945955-11-3

Structure of 945955-11-3

Chemical Structure| 945955-11-3

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Product Details of [ 945955-11-3 ]

CAS No. :945955-11-3
Formula : C11H16N2O
M.W : 192.26
SMILES Code : OC1=NC(C2CC2)=NC(CC(C)C)=C1

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Application In Synthesis of [ 945955-11-3 ]

* 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 [ 945955-11-3 ]

[ 945955-11-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 30414-55-2 ]
  • [ 57297-29-7 ]
  • [ 945955-11-3 ]
YieldReaction ConditionsOperation in experiment
7.5% Reference Example 10; 2-cyclopropyl-4 -isobutyl-6-methoxypyrimidine-5- carbaldehyde; (step 1); To a solution of methyl 5-methyl-3-oxohexanoate(14.3 g) synthesized by a known method (WO2006/090915) and cyclopropylcarbamidine monohydrochloride (10.9 g) in ethanol (180 mL) was added sodium ethoxide (18.5 g) at room temperature, and the mixture was heated under reflux for 4 hrs. The reaction mixture was concentrated under reduced pressure, and the residue was dissolved in water and acidified with 6N hydrochloric acid at 0°C. The resultant product was extracted 3 times with ethyl acetate, and the organic layer was washed with brine.' The organic layer was dried, and the solvent was evaporated under reduced pressure. The obtained residue was purified by silica gel column chromatography (solvent gradient; 50-67percent ethyl acetate/hexane) and crystallized from ethyl acetate-IPE to give 2-cyclopropyl-6-isobutylpyrimidine- 4-ol (1.31 g, 7.5percent) as. a white powder.1H-NMR (300MHz, CDCl3): deltapsi.91 (6H, d, J=6.4Hz), 1.03- 1.12 (2H, m) , 1.14-1.22 (2H, m) , 1.86-1.95 (IH, m) , 1.99-2.10 (IH, m) , 2.31 (2H, d, J=7.2Hz), 6.05 (IH, s), 13.38 (IH, br)
 

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