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Chemical Structure| 161975-20-8 Chemical Structure| 161975-20-8

Structure of 161975-20-8

Chemical Structure| 161975-20-8

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Product Details of [ 161975-20-8 ]

CAS No. :161975-20-8
Formula : C13H22N2O2
M.W : 238.33
SMILES Code : O=C(N1CCC(CCC#N)CC1)OC(C)(C)C
MDL No. :MFCD18433676

Safety of [ 161975-20-8 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H312-H315-H319-H332-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 161975-20-8 ]

* 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 [ 161975-20-8 ]

[ 161975-20-8 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 161975-20-8 ]
  • [ 150349-65-8 ]
YieldReaction ConditionsOperation in experiment
With H2;PtO2; In ethanol; dichloromethane; STR48 3-(N-t-Butyloxycarbonylpiperidin-4-yl)propylamine (2-4) Compound 2-3 (0.89 g, 3.7 mmole) was dissolved in 2 mL CH2 Cl2 and 25 mL EtOH and treated with PtO2 (0.113 g, 0.49 mmole) and H2 at 55 psi for 24 hours. The reaction was filtered and concentrated to give 2-4 as a white solid. 1 H NMR (300 MHz, 5% CD3 OD M CDCl3) delta8.0 (bs, 2H), 4.1 (d, 2H), 2.9 (bs, 2H), 2.7 (t, 2H), 1.7 (m, 4H), 1.5 (s, 9H), 1.4-1.3 (m, 3H), 1.1 (m, 2H).
  • 2
  • [ 154775-43-6 ]
  • [ 161975-20-8 ]
YieldReaction ConditionsOperation in experiment
47% To a stirred solution of 3-(l-(/ert-butoxycarbonyl)piperidin-4-yl)propanoic acid (1.0 g, 3.9 mmol) in anhydrous THF (10 mL) under nitrogen was added carbonyldiimidazole (631 mg, 3.89 mmol). The reaction was stirred for 90 minutes, cooled to 0C, and a solution of NH3 in THF (0.40 M, 15 mL) was added. The ice bath was removed, and the mixture was stirred overnight. THF was removed under reduced pressure. The residue was dissolved in DCM (50 mL), washed with sat. NaHC03 (30 mL), and dried over sodium sulfate. The solution was filtered and concentrated in vacuo. This crude material was dissolved in anhydrous THF (20 mL) under nitrogen. Pyridine (0.940 mL, 11.7 mmol) and trifluoroacetic anhydride (3.20 mL, 23.3 mmol) were added dropwise. The mixture was stirred at room temperature overnight. After dilution with ether (100 mL), the mixture was washed with IN HC1 (50 mL), sat. NaHC03 (50 mL) and brine (50 mL). The organic layer was dried over sodium sulfate, filtered, and concentrated. The residue was purified by silica gel chromatography (0-50% EtOAc in hexanes) to afford Intermediate 10A (434 mg, 47%). lH NMR (CDC13) delta 4.12 (m, 2H), 2.70 (t, 2H), 2.39 (t, 2H), 1.85 (b, 1H), 1.69 - 1.59 (m, 4H), 1.45 (s, 9H), 1.11 (m, 2H).
 

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