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[ CAS No. 10242-08-7 ]

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2D
Chemical Structure| 10242-08-7
Chemical Structure| 10242-08-7
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Product Details of [ 10242-08-7 ]

CAS No. :10242-08-7MDL No. :MFCD00079771
Formula : C10H8O4 Boiling Point : -
Linear Structure Formula :-InChI Key :XZELWEMGWISCTP-UHFFFAOYSA-N
M.W :192.17Pubchem ID :288638
Synonyms :

Computed Properties of [ 10242-08-7 ]

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

Safety of [ 10242-08-7 ]

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 [ 10242-08-7 ]

  • Upstream synthesis route of [ 10242-08-7 ]
  • Downstream synthetic route of [ 10242-08-7 ]

[ 10242-08-7 ] Synthesis Path-Upstream   1~4

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YieldReaction ConditionsOperation in experiment
92% With sodium hydroxide In 1,4-dioxane at 20℃; for 2.00 h; Under ice-cooling,2-hydroxy-5-methoxybenzaldehyde (3.0g, 20mmol) and anhydrous K2CO3 (3.3g,23.4mmol) (50ml) was dissolved in DMF, was slowly added dropwise ethylbromoacetate (3.3g, 20mmol). After dropping Bi, 0 ° C was stirred for 30min,then at 60 ° C in an oil bath, the reaction 12h. The reaction solution waspoured into ice water, over Filtered, the solid was dissolved in chloroform,dried over anhydrous Na2SO4, filtered, and spin dry the solvent, by silica gelcolumn chromatography, To give 3.24 g of a yellow solid (75percent yield), which was dissolved indioxane (30ml) was added 1N hydrogen Sodium hydroxide solution (15ml), stirredat room temperature 2h, the dioxane was evaporated to dryness, the residualliquid was poured into ice water, washed with diethyl Washed with methylenechloride, adjusting the PH value to 2, the solid was collected by filtration 2.68g (92percent yield), whichwas dissolved in methylene Dioxane (50ml), was added DIC (1.51g, 11.98mmol),after stirring at room temperature 1h, was added DMAP (0.24g, 1.96 mmol) anddimethyl hydroxyethyl phosphonate (1.84g, 10.95mmol), heated to reflux after6h, water and saturated brine The reaction solution was washed with water,dried over anhydrous magnesium sulfate, filtered and evaporated to dryness,ethyl acetate - petroleum ether system recrystallized To (dimethoxyphosphoryl)ethyl 5-methoxybenzofuran-2-carboxylate 3.67g (77percent yield), which was Was dissolved indichloromethane (50ml), was added trimethylsilyl bromide (9.85g, 64.8mmol) atroom temperature was stirred for 3h, with Quench with methanol, evaporated todryness to give the product 5-methoxy-benzofuran-2-carboxylic acid ethyl esterphosphono 2.38 g (yield, 74percent).
Reference: [1] Patent: CN103130705, 2016, B. Location in patent: Paragraph 0201-0203
[2] Journal of Medicinal Chemistry, 1984, vol. 27, # 5, p. 570 - 576
[3] Journal of Materials Chemistry, 2001, vol. 11, # 11, p. 2759 - 2772
[4] Patent: US2009/29976, 2009, A1. Location in patent: Page/Page column 18
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Reference: [1] Journal of Materials Chemistry, 2001, vol. 11, # 11, p. 2759 - 2772
[2] Journal of Medicinal Chemistry, 1984, vol. 27, # 5, p. 570 - 576
[3] Patent: CN103130705, 2016, B
[4] Angewandte Chemie - International Edition, 2018, vol. 57, # 21, p. 6242 - 6246[5] Angew. Chem., 2018, vol. 130, p. 6350 - 6354,5
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Reference: [1] Biochemical Journal, 1957, vol. 66, p. 188,191
[2] Journal of the American Chemical Society, 1951, vol. 73, p. 872
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Reference: [1] Angewandte Chemie - International Edition, 2018, vol. 57, # 21, p. 6242 - 6246[2] Angew. Chem., 2018, vol. 130, p. 6350 - 6354,5
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