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Chemical Structure| 546086-95-7 Chemical Structure| 546086-95-7

Structure of 546086-95-7

Chemical Structure| 546086-95-7

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Product Details of [ 546086-95-7 ]

CAS No. :546086-95-7
Formula : C8H14N2O
M.W : 154.21
SMILES Code : O=C1NCCC12CCNCC2
MDL No. :MFCD12406551

Safety of [ 546086-95-7 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 546086-95-7 ]

* 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 [ 546086-95-7 ]

[ 546086-95-7 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 55589-47-4 ]
  • [ 546086-95-7 ]
  • 8-((3-methylpyridin-2-yl)methyl)-2,8-diazaspiro[4.5]decan-1-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
36% To a suspension of 11 (4.1g, 26.6 mmol) in methanol (10 mL) and THF (40 mL), 3-methylpicolinaldehyde 12 (6.44 g, 53.2 mmol) and acetic acid (0.5 mL) were added. The mixture was stirred at 80 °C for 16 hours under nitrogen. After cooling, sodium triacetoxyborohydride (11.27 g, 53.2 mmol) was added. The reaction mixture was stirred at room temperature for 2 hours.The mixture was diluted with 40 mL EtOAc and 12 mL 10percent NaHCO3 solution. The organic layer was separated and the aqueous layer was extracted with 30 mL EtOAc twice. The combined organic layers were washed with brine, then dried over anhydrous Na2SO4 and concentrated in vacuo to give a brown oil product 8.1 g, which was purified by preparative HPLC (C18, mobile phase 0.01percent NH4HCO3/H2O,CH3CN, 10~95percent, 9.5 min, 30 mL/min) to give 2.5 g 13 (36percent) as a pale orange solid. 1H NMR (400 MHz, DMSO-d6) delta ppm 1.27 (d, J=12.4 Hz, 2 H), 1.60 (m, 2 H),1.90 (t, J=6.8 Hz, 2 H), 2.07 (m, 2 H),2.39 (s, 3 H), 2.68 (m, 2 H), 3.14 (t, J=6.8 Hz, 2 H), 3.56 (s, 2 H), 7.19 (dd, J=7.6, 4.8 Hz), 7.54 (t, J=7.6, 6.4 Hz), 8.28 (d, J=4.0 Hz). MS (ESI) m/z:260 (M+H)+.
 

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