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[ CAS No. 115619-00-6 ]

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Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 115619-00-6
Chemical Structure| 115619-00-6
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Product Details of [ 115619-00-6 ]

CAS No. :115619-00-6MDL No. :MFCD00614372
Formula : C12H17N3O2 Boiling Point : -
Linear Structure Formula :-InChI Key :N/A
M.W :235.28Pubchem ID :-
Synonyms :

Computed Properties of [ 115619-00-6 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 115619-00-6 ]

Signal Word:WarningClassN/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 115619-00-6 ]

  • Upstream synthesis route of [ 115619-00-6 ]
  • Downstream synthetic route of [ 115619-00-6 ]

[ 115619-00-6 ] Synthesis Path-Upstream   1~4

  • 1
  • [ 5308-25-8 ]
  • [ 350-46-9 ]
  • [ 115619-00-6 ]
YieldReaction ConditionsOperation in experiment
95% With potassium carbonate In dimethyl sulfoxide at 20℃; Inert atmosphere; Schlenk technique General procedure: A solution of 4-fluoronitrobenzene 6 (2 g, 14.2 mmol) and anhydrous K2CO3 (2.2 g, 15.6 mmol) in DMSO (5 mL) was stirred at room temperature for 10 min. The appropriate secondary amine (14.2 mmol) was added dropwise, and the resulting reaction mixture was stirred at room temperature for 10 h. The mixture was then poured into ice-water to form a precipitate collected by filtration then dried to give the nitrophenyl derivative 7a–7e.
80% at 20℃; General procedure: Synthesisof compounds (1-18) has been carriedout according to the procedure previously standardized in our laboratory with severalmodifications.1 Briefly, an equimolar mixture (0.01 mol) of 1-fluoro-4-nitrobenzeneand respective alkyl /heteroaryl/ aryl substituted piperazinein 30 ml of dried dimethylformamide (DMF)/ dried dimethylsulfoxide (DMSO) was stirredat room temperature for 4-8 h. Reaction completion was monitored by TLC andreaction mixture diluted with water (40 ml). Product has been extracted withchloroform and dried over anhydrous sodium sulphate. The chloroform was thenevaporated under reduced pressure to give pure 1-(4-nitro phenyl)-4-substituedpiperazine derivatives (1-18).
Reference: [1] Bulletin of the Korean Chemical Society, 2015, vol. 36, # 7, p. 1863 - 1873
[2] Bioorganic and Medicinal Chemistry Letters, 2015, vol. 25, # 5, p. 1092 - 1099
[3] Patent: US2004/122237, 2004, A1. Location in patent: Page 180
[4] Archives of Pharmacal Research, 2016, vol. 39, # 5, p. 603 - 617
[5] European Journal of Medicinal Chemistry, 2019, p. 690 - 709
  • 2
  • [ 5308-25-8 ]
  • [ 586-78-7 ]
  • [ 115619-00-6 ]
Reference: [1] Journal of Medicinal Chemistry, 2011, vol. 54, # 20, p. 7066 - 7083
[2] Patent: WO2006/420, 2006, A1. Location in patent: Page/Page column 210
[3] Patent: WO2006/108640, 2006, A1. Location in patent: Page/Page column 84
[4] Patent: WO2007/71752, 2007, A2. Location in patent: Page/Page column 73
[5] Patent: WO2011/71821, 2011, A1. Location in patent: Page/Page column 21-22
[6] Patent: WO2015/117547, 2015, A1. Location in patent: Page/Page column 16
[7] Patent: WO2009/141386, 2009, A1. Location in patent: Page/Page column 67-68
  • 3
  • [ 5308-25-8 ]
  • [ 636-98-6 ]
  • [ 115619-00-6 ]
Reference: [1] European Journal of Medicinal Chemistry, 2011, vol. 46, # 7, p. 2917 - 2929
  • 4
  • [ 5308-25-8 ]
  • [ 100-00-5 ]
  • [ 115619-00-6 ]
Reference: [1] European Journal of Medicinal Chemistry, 2014, vol. 75, p. 43 - 56
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[ 115619-00-6 ]

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