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Chemical Structure| 41239-40-1 Chemical Structure| 41239-40-1

Structure of 41239-40-1

Chemical Structure| 41239-40-1

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Product Details of [ 41239-40-1 ]

CAS No. :41239-40-1
Formula : C7H16N2O
M.W : 144.21
SMILES Code : CNCCN1CCOCC1
MDL No. :MFCD09864245
InChI Key :WWXPJKGWWPWBTB-UHFFFAOYSA-N
Pubchem ID :14979282

Safety of [ 41239-40-1 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H315-H318-H335
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P310-P332+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 41239-40-1 ]

* 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 [ 41239-40-1 ]

[ 41239-40-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 41239-40-1 ]
  • [ 2106-50-5 ]
  • C13H18ClN3O3 [ No CAS ]
YieldReaction ConditionsOperation in experiment
With sodium hydrogencarbonate; In acetonitrile; at 20℃; for 16h; A CH3CN (40 mL) solution of <strong>[2106-50-5]2-chloro-4-fluoro-1-nitrobenzene</strong> (3.51 g, 20 mmol), NaHCO3 (1.85 g, 22 mmol) and N-methyl-2-morpholinoethan-1-amine (2.94 g, 20.4 mmol) was stirred at room temperature. After 16 hours, the reaction went to completion as monitored by LC-MS. To the crude reaction mixture, NaHCO3 (1.85 g, 22 mmol) and piperidine (2.17 mL, 22 mmol) were added and the reaction was stirred at 70 C., then at 75 C. for a total of 6 days until about 4% starting material was left. Volatiles were removed by rotary evaporation and product was purified by silica gel column chromatography. Compound N-methyl-N-(2-morpholinoethyl)-4-nitro-3-(piperidin-1-yl)aniline was obtained as an orange color thick oil: 5.55 g (80% yield over 2 steps); 1H NMR (300 MHz, Chloroform-d) delta 8.05 (d, J=9.4 Hz, 1H), 6.23 (dd, J=9.4, 2.7 Hz, 1H), 6.10 (d, J=2.7 Hz, 1H), 3.73-3.70 (m, 4H), 3.54 (t, J=7.2 Hz, 2H), 3.06 (s, 3H), 3.03-3.00 (m, 4H), 2.56 (t, J=7.2 Hz, 2H), 2.53-2.49 (m, 4H), 1.81-1.73 (m, 4H), 1.64-1.57 (m, 2H); LRMS (M+H) m/z 349.61.
 

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