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[ CAS No. 115619-00-6 ]

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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:WarningClass:N/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   1~5

  • 1
  • [ 115619-00-6 ]
  • [ 115619-01-7 ]
YieldReaction ConditionsOperation in experiment
90% With palladium 10% on activated carbon; hydrogen In ethanol at 20℃; for 9 h; Inert atmosphere; Schlenk technique General procedure: The nitrophenyl analogue 7a–7e (7.5 mmol) was dissolved in ethanol (50 mL), and to this solution was added 10percent Pd/C (0.2 g). The reaction mixture was stirred at room temperature under an atmosphere of H2 for 9 h. After completion of the reaction, the resulting mixture was filtered through Celite. The filtrate was concentrated under high vacuum to afford the desired aniline derivatives 8a–8e.
78% With hydrogenchloride; tin In chloroform; waterReflux General procedure: Concisely,1-(4-Nitro phenyl)-4-substitued piperazine derivatives (1-18) were refluxed for 3-4 h in chloroform (20 ml) with theSn/HCl solution. The solution was prepared before by dissolving tin (15mM) in30ml Con. HCl. The reaction mixture was cooled under tap water and neutralizedwith 15percent NaOH solution. The resulting compound was extracted with ethylacetate. The organic layer was dried over anhydrous sodium sulphate andevaporated under reduced pressure to afford of 4-(4-substitutedpiperazin-1-yl)-phenylamine derivatives (19-36)as solid compounds.
Reference: [1] Journal of Medicinal Chemistry, 2011, vol. 54, # 20, p. 7066 - 7083
[2] Bulletin of the Korean Chemical Society, 2015, vol. 36, # 7, p. 1863 - 1873
[3] Bioorganic and Medicinal Chemistry Letters, 2015, vol. 25, # 5, p. 1092 - 1099
[4] Patent: US2004/122237, 2004, A1, . Location in patent: Page 180
[5] Patent: WO2006/420, 2006, A1, . Location in patent: Page/Page column 210
[6] Patent: WO2006/108640, 2006, A1, . Location in patent: Page/Page column 84
[7] Patent: WO2007/71752, 2007, A2, . Location in patent: Page/Page column 73
[8] Patent: WO2011/71821, 2011, A1, . Location in patent: Page/Page column 21
[9] European Journal of Medicinal Chemistry, 2011, vol. 46, # 7, p. 2917 - 2929
[10] European Journal of Medicinal Chemistry, 2014, vol. 75, p. 43 - 56
[11] Patent: WO2015/117547, 2015, A1, . Location in patent: Page/Page column 16; 17
[12] Archives of Pharmacal Research, 2016, vol. 39, # 5, p. 603 - 617
[13] Patent: WO2009/141386, 2009, A1, . Location in patent: Page/Page column 67
  • 2
  • [ 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
  • 3
  • [ 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
  • 4
  • [ 5308-25-8 ]
  • [ 636-98-6 ]
  • [ 115619-00-6 ]
Reference: [1] European Journal of Medicinal Chemistry, 2011, vol. 46, # 7, p. 2917 - 2929
  • 5
  • [ 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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