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Chemical Structure| 5050-41-9 Chemical Structure| 5050-41-9

Structure of 5050-41-9

Chemical Structure| 5050-41-9

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Product Details of [ 5050-41-9 ]

CAS No. :5050-41-9
Formula : C6H12ClN
M.W : 133.61
SMILES Code : ClCCN1CCCC1
MDL No. :MFCD00044568
InChI Key :RMGFLMXDCGQKPS-UHFFFAOYSA-N
Pubchem ID :81669

Safety of [ 5050-41-9 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301
Precautionary Statements:P301+P310+P330
Class:6.1
UN#:2810
Packing Group:

Application In Synthesis of [ 5050-41-9 ]

* 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 [ 5050-41-9 ]

[ 5050-41-9 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 5050-41-9 ]
  • [ 24410-19-3 ]
  • 3-(2-N-pyrolidynylethyl)-pyrido<2,3-d>pyrimidin-4(3H)-one [ No CAS ]
  • 2
  • [ 5050-41-9 ]
  • [ 186663-74-1 ]
  • [ 1379464-89-7 ]
  • 3
  • [ 5050-41-9 ]
  • [ 22717-55-1 ]
  • methyl 4-chloro-2-(2-(pyrrolidin-1-yl)ethoxy)benzoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
49.34% With tetrabutylammomium bromide; potassium carbonate; In acetone; for 7h;Reflux; To a stirred solution of <strong>[22717-55-1]methyl 4-chloro-2-hydroxybenzoate</strong> (2.0 g, 10.718 mmol, 1.0eq) in acetone (50 mL) was added K2C03 (7.406 g, 53.59 mmol, 5.0 eq) followed by 1-(2-chloroethyl)pyrrolidine (step 1, 1.432 g, 10.718 mmol, 1.0 eq) and TBAB (0.690 g, 2.143mmol, 0.2 eq). The reaction mixture was heated to reflux for 7 hours. After completion of25 the reaction (monitored by TLC), the reaction mixture was evaporated under reducedpressure, diluted with water (50 mL) and extracted with DCM (2x50 mL). The combinedorganic layers were washed with water (50 mL), dried over sodium sulfate, filtered and evaporated under reduced pressure. The residue was purified by silica gel columnchromatography by using 8-10% methanol in dichloromethane gradient. The fractionscontaining the expected product were combined and concentrated under reduced pressure toobtain the title compound (1.5 g, yield: 49.34%) as a colourless liquid. 1H NMR (300 MHz,5 CDCh): 8 ppm 7.76 (d, J = 8.7 Hz, lH), 7.0-6.94 (m, 2H), 4.24 (t, J = 5.7 Hz, 2H), 3.86 (s,3H), 3.10 (t, J = 5.7 Hz, 2H), 2.90-2.78 (m, 4H), 1.92-1.85 (m, 4H); ESI-MS: m/z 283.67(M+Ht.
  • 4
  • [ 5050-41-9 ]
  • [ 22717-55-1 ]
  • 4-chloro-2-(2-(pyrrolidin-1-yl)ethoxy)benzoic acid [ No CAS ]
 

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