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Chemical Structure| 1361058-63-0 Chemical Structure| 1361058-63-0

Structure of 1361058-63-0

Chemical Structure| 1361058-63-0

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Product Details of [ 1361058-63-0 ]

CAS No. :1361058-63-0
Formula : C14H20N4O2
M.W : 276.33
SMILES Code : O=C(N1CCC(N2N=CC(C#N)=C2)CC1)OC(C)(C)C

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Application In Synthesis of [ 1361058-63-0 ]

* 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 [ 1361058-63-0 ]

[ 1361058-63-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 877399-50-3 ]
  • potassiumhexacyanoferrate(II) trihydrate [ No CAS ]
  • [ 1361058-63-0 ]
YieldReaction ConditionsOperation in experiment
84.85% With tetrakis(triphenylphosphine) palladium(0); 1,8-diazabicyclo[5.4.0]undec-7-ene; In water; tert-butyl alcohol; at 90℃; for 16h;Sealed tube; To a stirred solution of tert-butyl 4-(4-bromopyrazol-l-yl)piperidine-l-carboxylate Sl-4 (1 g, 3.03 mmol) in tert- Butanol (7 rnL) and water (7 rnL) in a sealed tube was added Potassium ferrocyanide, trihydrate (511.65 mg, 1.21 mmol) and DBU (1 15.26 mg, 757.07 Ltmol) the reaction mixture was degassed with argon and then Palladium (0) tetrakis(triphenylphosphine) (174.97 mg, 151 .41 mhio) was added and the sealed tube was closed tightly and the reaction was allowed to stir at 90 C for 16 hours. The reaction mixture was filtered through a celite bed, washed with ethyl acetate and then concentrated. The crude residue was dissolved in ethyl acetate and washed with water, brine, dried over sodium sulphate and concentrated under reduced pressure. The crude product was then purified by column chromatography using (silica, gradient 25%-30% EtOAc/Hexane) to provide /erf-butyl 4-(4-cyanopyrazol-l-yl) piperidine- 1-carboxyiate Sl~5 (710 mg, 2.57 mmol, 84.85% yield). LCMS: ES+277.2. NMR (400 MHz, DMSO -ck) d 8 64 (s, 1H),8.07 (s, 1H), 4.42-4.48 (m, 1H), 4.00-4.05 (m, 2H), 2.90 (br, 2H), 2.00 (m, 2H), 1.71-1.80 (m, 2H),1.41 (s, 9H).
 

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