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[ CAS No. 273920-24-4 ]

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2D
Chemical Structure| 273920-24-4
Chemical Structure| 273920-24-4
Structure of 273920-24-4 *Storage: {[proInfo.prStorage]}

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Product Details of [ 273920-24-4 ]

CAS No. :273920-24-4MDL No. :MFCD18907619
Formula : C10H12N2O4 Boiling Point : -
Linear Structure Formula :-InChI Key :-
M.W :224.21Pubchem ID :22293963
Synonyms :

Computed Properties of [ 273920-24-4 ]

TPSA : 98.1 H-Bond Acceptor Count : 5
XLogP3 : 0.5 H-Bond Donor Count : 1
SP3 : 0.30 Rotatable Bond Count : 4

Safety of [ 273920-24-4 ]

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

Application In Synthesis of [ 273920-24-4 ]

  • Upstream synthesis route of [ 273920-24-4 ]
  • Downstream synthetic route of [ 273920-24-4 ]

[ 273920-24-4 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 67-56-1 ]
  • [ 102308-62-3 ]
  • [ 273920-24-4 ]
YieldReaction ConditionsOperation in experiment
100% at 20℃; Intermediate 1 (5 g, 23.8 mmol) was added to a solution of acetyl chloride (5 ml) in MeOH (125 ml). The resulting solution was stirred at room temperature overnight. The solvents were then removed in vacuo and the resulting solid was triturated with hot ether, collected by filtration and washed with more ether to leave the title compound as a pale yellow powder (5.35 g, 100percent). δH (D2O) 8.32 (2H, d, J 8.9 Hz, ArH), 8.75 (2H, d, J 8.9 Hz, ArH), 4.90 (1H, dd, J 7.2, 6.9 Hz, CHNH2), 3.70 (3H, s, CO2Me), 3.19 (1H, dd, J 17.1, 7.5 Hz, CHAHB) and 3.09 (1H, dd, J 17.1, 6.6 Hz, CHAHB); m/z (ES+, 60V) 225 (MH+).
Reference: [1] Patent: US6953798, 2005, B1. Location in patent: Page/Page column 20
[2] Journal of Medicinal Chemistry, 2010, vol. 53, # 24, p. 8619 - 8626
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