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[ CAS No. 848500-12-9 ]

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2D
Chemical Structure| 848500-12-9
Chemical Structure| 848500-12-9
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Product Details of [ 848500-12-9 ]

CAS No. :848500-12-9MDL No. :MFCD10698891
Formula : C15H22BrN3O2 Boiling Point : -
Linear Structure Formula :-InChI Key :-
M.W :356.26Pubchem ID :45786979
Synonyms :

Computed Properties of [ 848500-12-9 ]

TPSA : 54.5 H-Bond Acceptor Count : 4
XLogP3 : 3.6 H-Bond Donor Count : 1
SP3 : 0.60 Rotatable Bond Count : 4

Safety of [ 848500-12-9 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 848500-12-9 ]

  • Upstream synthesis route of [ 848500-12-9 ]
  • Downstream synthetic route of [ 848500-12-9 ]

[ 848500-12-9 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 626-05-1 ]
  • [ 73874-95-0 ]
  • [ 848500-12-9 ]
YieldReaction ConditionsOperation in experiment
32% at 130 - 160℃; for 9.5 h; A mixture of 2,6-dibromo-pyridine (3.5 g, 14.77 mmol) and piperidin-4-yl-carbamic acid te/f-butyl ester (1.478 g, 7.38 mmol) is heated to 130 0C in a sealed vessel for 6.5 h and 160 0C for 3 h. The residue is cooled and dissolved in CH2CI2 , washed with saturated NaHCO3 (X2), brine, dried (Na2SO4), filtered and concentrated. The residue is then separated via flash chromatography (SiO2, 10-30percent EtOAc/hexanes gradient) to give an intermediate, (6'-bromo-3,4,5,6-tetrahydro-2H-[1 ,2']bipyridinyl-4-yl)-carbamic acid te/f-butyl ester (0.83 g, 32percent). MS (ESI) m/z 356.0, 358.0 (M+1 ), which is taken on to next step.
Reference: [1] Patent: WO2009/150230, 2009, A1, . Location in patent: Page/Page column 179
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