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Chemical Structure| 342417-01-0

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Product Details of [ 342417-01-0 ]

CAS No. :342417-01-0
Formula : C18H22N4O
M.W : 310.39
SMILES Code : O=C(N)C1=CN=C(N2CCN(C)CC2)C=C1C3=CC=CC=C3C
MDL No. :MFCD11113419
InChI Key :UQTDFKWGXOVHFZ-UHFFFAOYSA-N
Pubchem ID :11483728

Safety of [ 342417-01-0 ]

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

Application In Synthesis of [ 342417-01-0 ]

* 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.

  • Upstream synthesis route of [ 342417-01-0 ]
  • Downstream synthetic route of [ 342417-01-0 ]

[ 342417-01-0 ] Synthesis Path-Upstream   1~12

  • 1
  • [ 881743-64-2 ]
  • [ 342417-01-0 ]
YieldReaction ConditionsOperation in experiment
88% at 400℃; for 5 h; Intermediate A-3 (582 mg, 1.625 mg) was dissolved in 10 ml of methanesulfonic acid and warmed to 100 ° C for 5 h. The reaction solution was poured into ice water and extracted with methyl tert-butyl ether.After the organic phase was combined, it was washed twice with water, the aqueous layer was combined, and the pH was adjusted to 14 with NaOH, and then extracted with methyl tert-butyl ether. The second organic layer was combined, washed successively with water, saturated brine, anhydrousDry over sodium sulfate.Pressurized distillation,The intermediate A-4 was purified to give a yield of 88percent.
References: [1] Patent: CN109384712, 2019, A, . Location in patent: Paragraph 0107; 0109; 0118; 0119.
[2] Journal of Organic Chemistry, 2006, vol. 71, # 5, p. 2000 - 2008.
[3] Organic Process Research and Development, 2006, vol. 10, # 6, p. 1157 - 1166.
  • 2
  • [ 109-01-3 ]
  • [ 342417-00-9 ]
  • [ 342417-01-0 ]
YieldReaction ConditionsOperation in experiment
95% at 100℃; for 2 h; Step 3
1.0 g (4.05 mMol) 6-Chloro-4-o-tolyl-nicotinamide in 9.0 ml 1-methyl-piperazine was heated to 100° C. for 2 hours.
The excess N-methyl-piperazine was removed under high vacuum and the residue was filtered on silica gel (eluent: dichloromethane) to yield 1.2 g (95percent) 6-(4-methyl-piperazin-1-yl)-4-o-tolyl-nicotinamide as a light yellow crystalline foam. MS (ISP): 311 (M+H+, 100), 254 (62).
95% at 100℃; for 2 h; Step 3: (0177) 1.0 g (4.05 mMol) 6-Chloro-4-o-tolyl-nicotinamide in 9.0 ml 1-methyl-piperazine was heated to 100° C. for 2 hours. The excess N-methyl-piperazine was removed under high vacuum and the residue was filtered on silica gel (eluent: dichloromethane) to yield 1.2 g (95percent) 6-(4-methyl-piperazin-1-yl)-4-o-tolyl-nicotinamide as a light yellow crystalline foam. (0178) MS (ISP): 311 (M+H+, 100), 254 (62).
References: [1] Patent: US8426450, 2013, B1, . Location in patent: Page/Page column 25.
[2] Patent: US9403772, 2016, B2, . Location in patent: Page/Page column 30.
[3] Journal of Organic Chemistry, 2006, vol. 71, # 5, p. 2000 - 2008.
[4] Patent: JP2015/17121, 2015, A, . Location in patent: Paragraph 0153.
  • 3
  • [ 5326-23-8 ]
  • [ 342417-01-0 ]
References: [1] Journal of Organic Chemistry, 2006, vol. 71, # 5, p. 2000 - 2008.
[2] Journal of Organic Chemistry, 2006, vol. 71, # 5, p. 2000 - 2008.
[3] Organic Process Research and Development, 2006, vol. 10, # 6, p. 1157 - 1166.
[4] Patent: US9403772, 2016, B2, .
[5] Patent: JP2015/17121, 2015, A, .
[6] Patent: US8426450, 2013, B1, .
[7] Patent: CN109384712, 2019, A, .
  • 4
  • [ 342416-99-3 ]
  • [ 342417-01-0 ]
References: [1] Journal of Organic Chemistry, 2006, vol. 71, # 5, p. 2000 - 2008.
[2] Patent: US9403772, 2016, B2, .
[3] Patent: JP2015/17121, 2015, A, .
[4] Patent: US8426450, 2013, B1, .
  • 5
  • [ 33872-80-9 ]
  • [ 342417-01-0 ]
References: [1] Journal of Organic Chemistry, 2006, vol. 71, # 5, p. 2000 - 2008.
[2] Patent: US9403772, 2016, B2, .
[3] Patent: JP2015/17121, 2015, A, .
[4] Patent: US8426450, 2013, B1, .
  • 6
  • [ 115309-58-5 ]
  • [ 342417-01-0 ]
References: [1] Journal of Organic Chemistry, 2006, vol. 71, # 5, p. 2000 - 2008.
[2] Organic Process Research and Development, 2006, vol. 10, # 6, p. 1157 - 1166.
[3] Patent: CN109384712, 2019, A, .
  • 7
  • [ 58757-38-3 ]
  • [ 342417-01-0 ]
References: [1] Journal of Organic Chemistry, 2006, vol. 71, # 5, p. 2000 - 2008.
[2] Organic Process Research and Development, 2006, vol. 10, # 6, p. 1157 - 1166.
[3] Patent: CN109384712, 2019, A, .
  • 8
  • [ 342417-04-3 ]
  • [ 342417-01-0 ]
References: [1] Journal of Organic Chemistry, 2006, vol. 71, # 5, p. 2000 - 2008.
[2] Organic Process Research and Development, 2006, vol. 10, # 6, p. 1157 - 1166.
[3] Patent: CN109384712, 2019, A, .
  • 9
  • [ 873443-66-4 ]
  • [ 342417-01-0 ]
References: [1] Organic Process Research and Development, 2006, vol. 10, # 6, p. 1157 - 1166.
  • 10
  • [ 529-20-4 ]
  • [ 342417-01-0 ]
References: [1] Organic Process Research and Development, 2006, vol. 10, # 6, p. 1157 - 1166.
  • 11
  • [ 70625-63-7 ]
  • [ 342417-01-0 ]
References: [1] Organic Process Research and Development, 2006, vol. 10, # 6, p. 1157 - 1166.
  • 12
  • [ 109-01-3 ]
  • [ 342417-01-0 ]
References: [1] Organic Process Research and Development, 2006, vol. 10, # 6, p. 1157 - 1166.
 

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