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Chemical Structure| 1228630-89-4 Chemical Structure| 1228630-89-4

Structure of 1228630-89-4

Chemical Structure| 1228630-89-4

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Product Details of [ 1228630-89-4 ]

CAS No. :1228630-89-4
Formula : C10H18N2O4
M.W : 230.26
SMILES Code : O=C(N1CCC([N+]([O-])=O)CC1)OC(C)(C)C
MDL No. :MFCD16618559
InChI Key :XASYUHHGRZOCKH-UHFFFAOYSA-N
Pubchem ID :46837164

Safety of [ 1228630-89-4 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301-H315-H319
Precautionary Statements:P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Class:6.1
UN#:2811
Packing Group:

Application In Synthesis of [ 1228630-89-4 ]

* 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 [ 1228630-89-4 ]

[ 1228630-89-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 150008-24-5 ]
  • [ 1228630-89-4 ]
YieldReaction ConditionsOperation in experiment
With urea hydrogen peroxide adduct; sodium hydrogencarbonate; trifluoroacetic anhydride; In acetonitrile; at 0 - 70℃; for 0.5h; To a solution of urea hydrogen peroxide (24.5 g, 261 mmol) in acetonitrile (90 mL) was added a solution of trifluoroacetic anhydride (39.2 g, 186 mmol) in acetonitrile (90 mL) dropwise and the reaction was stirred at 0 C for 2 hrs. This solution was added dropwise to a mixture of (Z/E)-<strong>[150008-24-5]tert-butyl 4-hydroxyiminopiperidine-1-carboxylate</strong> (16.0 g, 74.6 mmol) and saturated sodium bicarbonate (31.3 g, 373 mmol) in acetonitrile (150 mL) with stirring at 70 C and the reaction mixture was stirred at 70 C for 0.5 hr. On completion, the reaction mixture was cooled to 25 C and 50 mL of saturated aqueous solution of sodium sulfite was added. Then the reaction mixture was concentrated in vacuo to remove acetonitrile and 300 mL water and 300 mL ethyl acetate was added. The aqueous phase was extracted with ethyl acetate (3 × 300 mL). The organic layer was dried over anhydrous sodium sulfate, filtrated and concentrated in vacuo to give a crude product, which was purified by silica gel chromatography (petroleum ether:ethyl acetate = 10:1) to give the title compound.1H NMR (400MHz, CDCl3) delta = 4.52 (tt, J = 4.3, 10.1 Hz, 1H), 4.05 (br. s., 2H), 3.01 (t, J = 11.4 Hz, 2H), 2.23 (dd, J = 3.6, 13.0 Hz, 2H), 2.12 - 2.03 (m, 2H), 1.48 (s, 9H).
 

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[ 1228630-89-4 ]

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