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[ CAS No. 215659-03-3 ]

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2D
Chemical Structure| 215659-03-3
Chemical Structure| 215659-03-3
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Product Details of [ 215659-03-3 ]

CAS No. :215659-03-3MDL No. :MFCD17168870
Formula : C9H9NO6 Boiling Point : -
Linear Structure Formula :-InChI Key :N/A
M.W :227.17Pubchem ID :-
Synonyms :

Computed Properties of [ 215659-03-3 ]

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

Safety of [ 215659-03-3 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501UN#:N/A
Hazard Statements:H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 215659-03-3 ]

  • Upstream synthesis route of [ 215659-03-3 ]
  • Downstream synthetic route of [ 215659-03-3 ]

[ 215659-03-3 ] Synthesis Path-Upstream   1~3

  • 1
  • [ 215659-03-3 ]
  • [ 214470-85-6 ]
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2011, vol. 21, # 18, p. 5342 - 5346
  • 2
  • [ 215659-03-3 ]
  • [ 286371-64-0 ]
Reference: [1] Journal of Medicinal Chemistry, 2011, vol. 54, # 13, p. 4536 - 4547
  • 3
  • [ 215659-03-3 ]
  • [ 100-39-0 ]
  • [ 164161-49-3 ]
YieldReaction ConditionsOperation in experiment
94% With caesium carbonate In dimethyl sulfoxide at 20℃; for 24 h; methyl 5-(benzyloxy)-4-methoxy-2-nitrobenzoate: Preparation 6 (15.4 g, 68 mmol), benzyl bromide (9.7 mL, 82 mmol), and cesium carbonate (44 gm, 136 mmol) in DMSO (200 mL) were stirred at room temperature for 24 h. The mixture was diluted with ethylacetate (ca. 2 L) and n-butanol (ca. 100 mL). The mixture was washed with water and brine, was dried over magnesium sulfate, was filtered, and was concentrated. The residue was purified by silica gel chromatography (1 :5 to 2:1 ethylacetate-hexanes) to afford 20.2 g (94percent yield) of the title compound; MS (AP/CI): 286.1 (M+H)+ .
Reference: [1] Patent: WO2008/20302, 2008, A2, . Location in patent: Page/Page column 28
[2] Journal of Medicinal Chemistry, 2011, vol. 54, # 13, p. 4536 - 4547
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