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Chemical Structure| 93138-55-7 Chemical Structure| 93138-55-7

Structure of 93138-55-7

Chemical Structure| 93138-55-7

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Product Details of [ 93138-55-7 ]

CAS No. :93138-55-7
Formula : C12H18N2
M.W : 190.28
SMILES Code : NC1=CC=CC(CN2CCCCC2)=C1
MDL No. :MFCD04114502
InChI Key :SEJNYLBEEMVJNN-UHFFFAOYSA-N
Pubchem ID :6484331

Safety of [ 93138-55-7 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H319
Precautionary Statements:P305+P351+P338

Application In Synthesis of [ 93138-55-7 ]

* 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 [ 93138-55-7 ]

[ 93138-55-7 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 93138-55-7 ]
  • [ 618-89-3 ]
  • N-(3-Methoxycarbonylbenzyl)-3-(piperidinomethyl)aniline [ No CAS ]
YieldReaction ConditionsOperation in experiment
72% With sodium hydride; In tetrahydrofuran; DMF (N,N-dimethyl-formamide); at 50℃; for 3.5h; 1-(3-Aminobenzyl)piperidine (0.52 g) obtained by the known process (WO99/32100) was dissolved in tetrahydrofuran (4.0 mL) and N,N-dimethylformamide (1.0 mL), and methyl 3-(bromomethyl)benzoate (0.63 g) and a 60% dispersion (0.013 g) of sodium hydride in mineral oil were added thereto, followed by stirring at 50 C. for 3.5 hours. The mixture was allowed to stand for cooling to room temperature, and then a saturated aqueous sodium bicarbonate solution and water were added thereto, followed by extraction with chloroform. The extract was dried over anhydrous sodium sulfate, and the solvent was evaporated under reduced pressure. The residue was purified by silica gel preparative thin layer chromatography (chloroform:methanol=5:1) to give Compound X (0.67 g, 72%) as a pale yellow oily substance. [0583] 1H NMR (270 MHz, CDCl3) δ8.03 (1H, m), 7.91 (1H, m), 7.56 (1H, m), 7.38 (1H, t), 7.08 (1H, t), 6.71 (1H, m), 6.65 (1H, brd), 6.51 (1H, brdd), 4.48 (1H, brs), 4.37 (2H, brs), 3.89 (3H, s), 3.49 (2H, brs), 2.45 (4H, m), 1.61 (4H, m), 1.43 (2H, m).
  • 2
  • [ 93138-55-7 ]
  • [ 67808-64-4 ]
  • N-(5-methoxycarbonyl-2-thenyl)-3-(piperidinomethyl)aniline [ No CAS ]
YieldReaction ConditionsOperation in experiment
75% With sodium tris(acetoxy)borohydride; In tetrahydrofuran; acetic acid; Compound AA (0.19 g, 75percent) was obtained as pale yellow crystals using 1-(3-aminobenzyl)piperidine (0.16 g) obtained by the known process (WO99/32100), <strong>[67808-64-4]methyl 5-formyl-2-thiophenecarboxylate</strong> (0.12 g) obtained by the known method (J. Heterocycl. Chem., 28: 17-28 (1991)), sodium triacetoxyborohydride (0.89 g), acetic acid (0.25 mL) and tetrahydrofuran (5.0 mL) as described in Reference Example 6. [0592] 1H NMR (270 MHz, CDCl3) delta7.63 (1H, d), 7.09 (1H, t), 6.96 (1H, brd), 6.72-6.63 (2H, m), 6.52 (1H, m), 4.49 (2H, brs), 4.37 (1H, brs), 3.82 (3H, s), 3.41 (2H, brs), 2.38 (4H, m), 1.57 (4H, m), 1.42 (2H, m).
 

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