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[ CAS No. 911826-36-3 ]

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2D
Chemical Structure| 911826-36-3
Chemical Structure| 911826-36-3
Structure of 911826-36-3 *Storage: {[proInfo.prStorage]}

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Product Details of [ 911826-36-3 ]

CAS No. :911826-36-3MDL No. :MFCD12026471
Formula : C8H5FO2 Boiling Point : -
Linear Structure Formula :-InChI Key :-
M.W :152.12Pubchem ID :45122651
Synonyms :

Computed Properties of [ 911826-36-3 ]

TPSA : 26.3 H-Bond Acceptor Count : 3
XLogP3 : 1.6 H-Bond Donor Count : 0
SP3 : 0.13 Rotatable Bond Count : 0

Safety of [ 911826-36-3 ]

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 [ 911826-36-3 ]

  • Upstream synthesis route of [ 911826-36-3 ]
  • Downstream synthetic route of [ 911826-36-3 ]

[ 911826-36-3 ] Synthesis Path-Upstream   1~6

  • 1
  • [ 178747-79-0 ]
  • [ 911826-36-3 ]
Reference: [1] Patent: WO2008/60301, 2008, A1, . Location in patent: Page/Page column 80-81
  • 2
  • [ 500912-12-9 ]
  • [ 18107-18-1 ]
  • [ 911826-36-3 ]
YieldReaction ConditionsOperation in experiment
53% for 3 h; 4-fluorobenzofuran-3(2H)-one. The yellow (trimethylsilyl)diazomethane ether solution (2.0 M, 3.7 mL) was added to 0.57 g (3.0 mmol) above acid chloride with stirring. After 3 hours, solvent was evaporated. The yellow residue was dissolved in 3 mL acetic acid (strong gas and heat evolution, used a water bath to cool the flask for a minute), and stirred for 15 min at room temperature. The solvents were removed under vacuum, and the red residue was taken into 2 mL CH2Cl2, washed with water twice, then brine, and dried over Na2SO4. This crude product was purified by column chromatography (eluting with 10percent EtOAc in hexanes) to give 0.24 g (53percent) 4-fluorobenzofuran-3(2H)-one as white solid.1H NMR (300 MHz, CDCl3): δ 7.58 (m, 1H), 6.92 (br d, 1H), 6.71 (t, 1H), 4.65 (s, 2H).
Reference: [1] Patent: US2008/119496, 2008, A1, . Location in patent: Page/Page column 34
  • 3
  • [ 137654-21-8 ]
  • [ 911826-36-3 ]
Reference: [1] Patent: US2008/119496, 2008, A1,
[2] Patent: WO2008/60301, 2008, A1,
  • 4
  • [ 1038535-33-9 ]
  • [ 911826-36-3 ]
Reference: [1] Journal of Medicinal Chemistry, 2011, vol. 54, # 15, p. 5395 - 5402
  • 5
  • [ 93339-98-1 ]
  • [ 911826-36-3 ]
Reference: [1] Journal of Medicinal Chemistry, 2011, vol. 54, # 15, p. 5395 - 5402
  • 6
  • [ 500912-12-9 ]
  • [ 911826-36-3 ]
Reference: [1] Patent: WO2008/60301, 2008, A1,
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