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Chemical Structure| 27816-36-0 Chemical Structure| 27816-36-0

Structure of 27816-36-0

Chemical Structure| 27816-36-0

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Product Details of [ 27816-36-0 ]

CAS No. :27816-36-0
Formula : C3H6ClNO
M.W : 107.54
SMILES Code : CC(Cl)C(N)=O
MDL No. :MFCD00008016

Safety of [ 27816-36-0 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301-H317-H361-H402
Precautionary Statements:P201-P202-P261-P264-P270-P272-P273-P280-P301+P310+P330-P302+P352-P308+P313-P333+P313-P405-P501
Class:6.1
UN#:2811
Packing Group:

Application In Synthesis of [ 27816-36-0 ]

* 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 [ 27816-36-0 ]

[ 27816-36-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 280-13-7 ]
  • [ 27816-36-0 ]
  • 2-(8-oxa-3-azabicyclo[3.2.1]oct-3-yl)propanamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
52% With triethylamine; potassium iodide; In N,N-dimethyl-formamide; at 50℃; for 72h;Inert atmosphere; 2-Chloropropanamide (racemate) (250 mg, 98 % purity, 2.28 mmol) was disolved in DMF (7.3 ml) and treated with triethylamine (350 jil, 2.5 mmol), 8-oxa-3-azabicyclo[3.2.1]octane (284 mg, 2.51 mmol) and potassium iodide (75.6 mg, 456 jimol). This mixture was heated at 50C under argon for 3 days.After cooling to rt, the solvent was removed under reduced pressure and the residue was purified by chromatography through a silica column eluting with a gradient of dichloromethane/methanol from 100:0 to 85:15 to deliver 229 mg (96 % purity, 52 % yield) of the title compound.1HNMR (400 MHz, DMSO-d6) [ppm]: 1.030 (15.74), 1.048 (16.00), 1.500(1.11), 1.517 (1.12), 1.670 (2.17), 1.689 (3.58), 1.707 (2.64), 1.730 (0.44), 1.835 (0.59), 1.861 (4.48), 1.873 (2.35), 1.878 (2.22),1.890 (3.99), 1.913 (0.47), 2.298 (1.97), 2.302 (2.01), 2.325 (3.17), 2.329 (3.18), 2.388 (1.42), 2.392 (1.49), 2.415 (6.95), 2.445 (5.40), 2.474 (1.49), 2.803 (1.21), 2.820 (3.87), 2.837 (3.75), 2.855 (1.13), 4.181 (2.22), 4.192 (3.39), 4.203 (2.22), 6.973 (1.57), 7.045 (1.58).
 

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