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Chemical Structure| 515162-19-3 Chemical Structure| 515162-19-3

Structure of 515162-19-3

Chemical Structure| 515162-19-3

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Product Details of [ 515162-19-3 ]

CAS No. :515162-19-3
Formula : C13H21N3
M.W : 219.33
SMILES Code : NCC1=CC=CC(CN2CCN(C)CC2)=C1
MDL No. :MFCD06797803
InChI Key :HMWCORSELDZBCN-UHFFFAOYSA-N
Pubchem ID :16769051

Safety of [ 515162-19-3 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302
Precautionary Statements:P280-P305+P351+P338

Application In Synthesis of [ 515162-19-3 ]

* 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 [ 515162-19-3 ]

[ 515162-19-3 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 515141-52-3 ]
  • [ 515162-19-3 ]
  • 6-(4-chlorophenyl)-3-{3-[(4-methylpiperazin-1-yl)methyl]benzyl}thieno[3,2-d]pyrimidin-4(3H)-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
48% In phenol; at 130℃; for 1.5h; Example 5 6-(4-Chlorophenyl)-3-{3-[(4-methylpiperazin-1-yl)methyl]benzyl}thieno[3,2-d]pyrimidin-4(3H)-one 5-(4-Chloro-phenyl)-3-(dimethylamino-methyleneamino)-thiophene-2-carboxylic acid methyl ester (0.177 g, 0.547 mmol), <strong>[515162-19-3]3-(4-methyl-piperazin-1-ylmethyl)-benzylamine</strong> (0.100 g, 0.456 mmol) and phenol (1.00 g) were stirred at 130 C. for 1.5 hours. The reaction mixture was allowed to cool to r.t. The product was partly purified by flash chromatography using EtOAc, MeOH and TEA mixtures as eluent to give a yellow solid. The solid was washed with MeOH to give the product. Yield: 0.122 g (48%). 1H NMR (400 MHz, CDCl3) delta 8.11 (s, 1H), 7.63 (d, 2H, J=8.52 Hz), 7.45 (s, 1H), 7.43 (d, 2H, J=8.52 Hz), 7.21-7.34 (m, 4H), 5.20 (s, 2H), 3.47 (s, 2H), 2.41 (bs, 8H), 2.25 (s, 3H). MS (ESI+) 464.93 (M+1H+).
  • 2
  • [ 515162-19-3 ]
  • [ 2215-77-2 ]
  • N-[3-(4-methyl-piperazin-1-ylmethyl)-benzyl]-4-phenoxy-benzamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In dichloromethane; for 2.0h; To a stirred solution of 3-cyanobenzaldeliyde (3.25 mmol) was added iV-metliyl piperizine (3.25 mmol) followed by NaB(OAc)3H (4.25 (mmol). The mixture was stirred for 4 h and concentrated. The residual material was partitioned between CH2Cl2 and NaHCC>3 (sat.) and the organic phase was then collected. The organic phase was concentrated (0.70 g, 3.25 mmol) and dissolved in THF (5 mL). The solution was cooled in an ice bath, and to this was added lithium aluminum hydride (1.0 M in THF, 4.8 mL, 4.88 mmol). The solution was warmed to room temperature and stirred for 2 h. The reaction was quenched with excess sodium sulfate decahydrate (~1 g), and then filtered through diatomaceous earth. The material was concentrated to give a clear oil of the benzylamine which was used without further purification. 4-Phenoxy benzoic acid was dissolved in CH2Cl2 (2 mL) and to titiis was added EDCI (0.107 g, 0.56 mmol) followed by DIEA (0.048 mL, 0.56 mmol) and the benzyl amine obtained from the previous step (0.10 g, 0.50 mmol). The reaction was stirred for 2 h, and then partitioned between CH2Cl2 and NaHCO3 (sat.). The organic layer was concentrated and the residual oil chromatographed (SiO2, CH2Cl2/5% NH3 in MeOH, 95:5) to give the title compound as a white solid.1HNMR (CDCl3, 300 MHz) delta 2.30 (s, 3H), 2.49 (br s, 8H), 3.51 (s, 2H), 4.63 (d, 2H, J = 5.4 Hz), 6.27 (s, IH), 6.96-7.05 (m, 4H), 7.16 (t, IH, J = 7.5 Hz), 7.25 (m, IH), 7.30-7.39 (m, 5H), 7.75-7.78 (d, 2H, J = 7.8 Hz).
  • 3
  • [ 859850-90-1 ]
  • [ 515162-19-3 ]
YieldReaction ConditionsOperation in experiment
With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20℃; for 2.0h; To a stirred solution of 3-cyanobenzaldeliyde (3.25 mmol) was added iV-metliyl piperizine (3.25 mmol) followed by NaB(OAc)3H (4.25 (mmol). The mixture was stirred for 4 h and concentrated. The residual material was partitioned between CH2Cl2 and NaHCC>3 (sat.) and the organic phase was then collected. The organic phase was concentrated (0.70 g, 3.25 mmol) and dissolved in THF (5 mL). The solution was cooled in an ice bath, and to this was added lithium aluminum hydride (1.0 M in THF, 4.8 mL, 4.88 mmol). The solution was warmed to room temperature and stirred for 2 h. The reaction was quenched with excess sodium sulfate decahydrate (~1 g), and then filtered through diatomaceous earth. The material was concentrated to give a clear oil of the benzylamine which was used without further purification. 4-Phenoxy benzoic acid was dissolved in CH2Cl2 (2 mL) and to titiis was added EDCI (0.107 g, 0.56 mmol) followed by DIEA (0.048 mL, 0.56 mmol) and the benzyl amine obtained from the previous step (0.10 g, 0.50 mmol). The reaction was stirred for 2 h, and then partitioned between CH2Cl2 and NaHCO3 (sat.). The organic layer was concentrated and the residual oil chromatographed (SiO2, CH2Cl2/5% NH3 in MeOH, 95:5) to give the title compound as a white solid.1HNMR (CDCl3, 300 MHz) delta 2.30 (s, 3H), 2.49 (br s, 8H), 3.51 (s, 2H), 4.63 (d, 2H, J = 5.4 Hz), 6.27 (s, IH), 6.96-7.05 (m, 4H), 7.16 (t, IH, J = 7.5 Hz), 7.25 (m, IH), 7.30-7.39 (m, 5H), 7.75-7.78 (d, 2H, J = 7.8 Hz).
  • 4
  • [ 109-01-3 ]
  • [ 515162-19-3 ]
  • 5
  • [ 24964-64-5 ]
  • [ 515162-19-3 ]
 

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