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Chemical Structure| 10166-54-8 Chemical Structure| 10166-54-8

Structure of 10166-54-8

Chemical Structure| 10166-54-8

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Product Details of [ 10166-54-8 ]

CAS No. :10166-54-8
Formula : C5H10N2O
M.W : 114.15
SMILES Code : O=C1NCCCN1C
MDL No. :MFCD00196814
InChI Key :COYPZADTXISTSJ-UHFFFAOYSA-N
Pubchem ID :12867748

Safety of [ 10166-54-8 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335
Precautionary Statements:P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501

Application In Synthesis of [ 10166-54-8 ]

* 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 [ 10166-54-8 ]

[ 10166-54-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 454-16-0 ]
  • [ 10166-54-8 ]
  • [ 1093656-11-1 ]
YieldReaction ConditionsOperation in experiment
43% 450 mg (3.94 mmol) of 1-methyltetrahydropyrimidin-2(1H)-one in 15 ml of DMF are admixed at 0° C. with 663 mg (5.91 mmol) of potassium tert-butoxide, and the mixture is stirred at room temperature for 30 min. 742 mg (4.33 mmol) of <strong>[454-16-0]1-fluoro-2-methoxy-4-nitrobenzene</strong> are added and the mixture is stirred at RT. After 2 h, the mixture is admixed with 150 ml of water and 8 ml of saturated aqueous sodium chloride solution, and extracted three times with 30 ml each time of ethyl acetate. The combined organic phases are washed with 30 ml of water and then dried over sodium sulfate. After filtration, the solvents are removed under reduced pressure. The residue is purified by chromatography on silica gel (1:5-->1:10 cyclohexane/ethyl acetate). This affords 457 mg (43percent of theory) of the desired compound. 1H NMR (400 MHz, DMSO-d6, delta/ppm): 7.85 (m, 2H), 7.44-7.39 (m, 1H), 3.90 (s, 3H), 3.48 (t, 2H), 3.38-3.31 (m, 2H), 2.84 (s, 3H), 2.05-1.93 (m, 2H). HPLC (Method 1): Rt=3.57 min. MS (DCI, m/z): 266 (M+H)+.
 

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