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Chemical Structure| 660448-95-3 Chemical Structure| 660448-95-3

Structure of 660448-95-3

Chemical Structure| 660448-95-3

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Product Details of [ 660448-95-3 ]

CAS No. :660448-95-3
Formula : C8H13NO
M.W : 139.19
SMILES Code : CC(C)CCC(CC#N)=O
MDL No. :MFCD11187376

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Application In Synthesis of [ 660448-95-3 ]

* 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 [ 660448-95-3 ]

[ 660448-95-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 25415-67-2 ]
  • [ 75-05-8 ]
  • [ 660448-95-3 ]
YieldReaction ConditionsOperation in experiment
Tetrahydrofuran (35 ml) was cooled down to -70C under inert gas atmosphere. At this temperature, 4.44 ml (11.1 mmol) of n-butyllithium solution (2.5 M in hexanes) and then 0.51 ml (9.71 mmol) acetonitrile were added dropwise. After 3 min at -70C, 1 .1 5 ml (6.93 mmol) ethyl 4- methylpentanoate were added dropwise at such a rate that the temperature of the solution did not exceed -66C. The mixture was stirred for 2 h at -45C before 22.2 ml of 1 N hydrochloric acid were added dropwise. The reaction mixture was concentrated under reduced pressure, and the residue was mixed with diethyl ether. After filtration through silica gel, the filtrate was evaporated under reduced pressure to yield 1.05 g of the crude title compound, which was used in the next step without further purification.GC-MS (method 5): Rt = 3.23 min; MS (EIpos): m/z = 138 (M-H)+ 'H-NMR (DMSO-dg): delta = 4.03 (s, 2H), 2.51 (t, 2H), 1.50 (sext, 1H), 1.38 (q, 2H), 1.35 (d, 6H) ppm.
 

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