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[ CAS No. 1245649-58-4 ]

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Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 1245649-58-4
Chemical Structure| 1245649-58-4
Structure of 1245649-58-4 *Storage: {[proInfo.prStorage]}

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Product Details of [ 1245649-58-4 ]

CAS No. :1245649-58-4MDL No. :MFCD18072651
Formula : C12H13BrN2O Boiling Point : 425.3±55.0°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :281.15Pubchem ID :52988039
Synonyms :

Computed Properties of [ 1245649-58-4 ]

TPSA : 27 H-Bond Acceptor Count : 2
XLogP3 : 2.4 H-Bond Donor Count : 0
SP3 : 0.42 Rotatable Bond Count : 1

Safety of [ 1245649-58-4 ]

Signal Word:WarningClassN/A
Precautionary Statements:P280-P305 P351 P338-P310UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1245649-58-4 ]

  • Upstream synthesis route of [ 1245649-58-4 ]
  • Downstream synthetic route of [ 1245649-58-4 ]

[ 1245649-58-4 ] Synthesis Path-Upstream   1~6

  • 1
  • [ 1162697-10-0 ]
  • [ 149-73-5 ]
  • [ 1245649-58-4 ]
YieldReaction ConditionsOperation in experiment
201 mg at 100℃; for 12.00 h; To a solution of compound 5-bromo-Nl-(tetrahydro-2H-pyran-4-yl)benzene-l,2- diamine (500 mg, 1.852 mmol) in HC(OMe)3 (2 mL) was added TsOH (15mg, 0.0789 mmol). The reaction mixture was stirred at 100 °C for 12h. The reaction mixture was extracted with DCM washed with water and the organic layer dried over sodium sulfate which was removed by filtration. After concentration of the filtrate, the crude product was purified by column (201 mg, 38.53percent). LCMS (m/z): 281.0, 283.0 (M+l).
Reference: [1] Patent: WO2014/100695, 2014, A1. Location in patent: Paragraph 00344
  • 2
  • [ 64-18-6 ]
  • [ 1162696-22-1 ]
  • [ 1245649-58-4 ]
Reference: [1] Patent: WO2014/100695, 2014, A1. Location in patent: Paragraph 00440
  • 3
  • [ 38041-19-9 ]
  • [ 1245649-58-4 ]
Reference: [1] Patent: WO2014/100695, 2014, A1
[2] Patent: WO2014/100695, 2014, A1
[3] Patent: WO2014/151147, 2014, A1
[4] Patent: US2015/30588, 2015, A1
[5] Patent: US9295673, 2016, B2
  • 4
  • [ 321-23-3 ]
  • [ 1245649-58-4 ]
Reference: [1] Patent: WO2014/100695, 2014, A1
[2] Patent: WO2014/100695, 2014, A1
[3] Patent: WO2014/151147, 2014, A1
[4] Patent: US2015/30588, 2015, A1
[5] Patent: US9295673, 2016, B2
  • 5
  • [ 1162696-22-1 ]
  • [ 1245649-58-4 ]
Reference: [1] Patent: WO2014/100695, 2014, A1
[2] Patent: WO2014/151147, 2014, A1
[3] Patent: US2015/30588, 2015, A1
[4] Patent: US9295673, 2016, B2
  • 6
  • [ 64-18-6 ]
  • [ 1162697-10-0 ]
  • [ 1245649-58-4 ]
Reference: [1] Patent: WO2014/151147, 2014, A1. Location in patent: Paragraph 00641
[2] Patent: US2015/30588, 2015, A1. Location in patent: Page/Page column 71; 72
[3] Patent: US9295673, 2016, B2. Location in patent: Page/Page column 352; 353
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