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[ CAS No. 50551-57-0 ]

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Chemical Structure| 50551-57-0
Chemical Structure| 50551-57-0
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Product Details of [ 50551-57-0 ]

CAS No. :50551-57-0 MDL No. :MFCD14279719
Formula : C12H12O4 Boiling Point : -
Linear Structure Formula :- InChI Key :N/A
M.W :220.22 g/mol Pubchem ID :11830962
Synonyms :

Safety of [ 50551-57-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 50551-57-0 ]

  • Downstream synthetic route of [ 50551-57-0 ]

[ 50551-57-0 ] Synthesis Path-Downstream   1~15

  • 1
  • [ 50551-57-0 ]
  • [ 50551-61-6 ]
YieldReaction ConditionsOperation in experiment
91% To a stirred solution of Product of Step B (0.25 g, 1.21 mmol) in a mixture of THF, MeOH and H2O (5 ml : 2 ml : 1 ml), LiOH (0.145 g, 6 mmol) in H2O (0.5 ml) was added and the mixture was stirred for 3 h at room temp. The solvents were distilled off and the residue was portioned between EtOAc (20 ml) and 1 M HCI (2 ml). The organic layer was washed with H2O, dried over MgSO4 and filtered. The filtrate was evaporated to dryness to give the title compound (0.21 g, 91 %), as a colourless solid. 1H-NMR (DMSO-de) 7.61 (d, 1 H, J = 8.67 Hz); 7.54 (s, 1 H); 7.24 (d, 1 H, J = 1 .59 Hz); 6.93 (dd, 1 H, J = 8.67, 2.4 Hz); 3.8 (s, 3H).
83% With sodium hydroxide; In 1,4-dioxane; at 40℃; for 0.5h; Compound 38 (1.1 g, 5 mmol)was dissolved in 20mL of dioxane,and 8.0 mL of 1 N NaOH was added. The solution initially becameturbid but clarified upon completion of the reaction after 30 min.The dioxane was removed by distillation under reduced pressure,and the remaining productwas dissolved inwater. The solutionwasmixed with dichloromethane and after stratification, the organicphase was discarded, and the aqueous phase was adjusted to pH = 3 with 10% HCl. The precipitate was collected and recrystallizedin dry methanol. Finally, 0.51 g (yield of 83%) of solid wasobtained. m.p: 195-196 C. 1H NMR (600 MHz, DMSO-d6) delta (ppm):3.84 (s, 3H), 6.97 (dd, J1=9.0 Hz, J2 = 1.8 Hz, 1H), 729 (d, J=1.8 Hz,1H), 7.59 (s, 1H), 7.64 (d, J= 9.0 Hz, 1H), 13.32 (s, 1H).
79% With sodium hydroxide; In 1,4-dioxane; at 20℃; for 2h; The ice bath condition 2- Hdroxyl ,-4- methoxybenzaldehyde,and anhydrous K2c03 ( 2.2g15.6mmo 1) Dissolved inDMF(30ml) slowlydripping bromo Ethylacetate(2.2g13mmo 1)drippingis finished 0C stirring , 30min, then at 60C oil bath reaction 12h Thereaction liquid is poured into the ice waterfilter chloroform soluble solidsanhydrousNa2s04 drying, filtration, rotary dry solvent silica gel column chromatographyseparation , get yellow solid 2.31g , 2.31g (yield as 80%), will it,soluble Dioxane,[20ml]added sodium hydroxide solution [12ml] normalatmospheric temperature stir 2Hours Dioxane steameddry, The remaining liquid is poured intoice water. use dichloromethanewashing adjustingPHValue to 2 filter collect solid1.64g (yield as 79%), dissolve it in dichloromethane (30ml)addedN.N Diisopropylcarbodiimide(DIC)(1.06g8.41mmol) normal atmospherictemperature stirring 1 hour after added ,-4-Dimethylaminopyridine (DMAP0.17g1.39mmo l) Diethyl(hydroxymethyl)phosphonate 1.44g,8.57mmo I)Heating reflux 6 hours after usewith full water and edible salt washingreaction solutionanhydrous magnesium sulphate dry filtering after steam drying, Ethyl acetatepetroleum ether system recrystallization obtainedproduct -6-methoxy benzofurane,-2-carboxylic acid (2?_Diethylphosphonatemethyl ester products 2.48g (yield for 85%).
With sodium hydroxide; In water; N,N-dimethyl-formamide; at 60℃; for 0.5h; General procedure: To a solution of intermediates 3a-3q (1mmol) in 10ml DMF, 2.0mL of 20% sodium hydroxide solution was dropped at 60C to carry out the ester hydrolysis reaction for 30min. Afterwards, the mixture was cooled to room temperature, and the PH value of the solution was adjusted to 2 using 10% hydrochloric acid, then the mixture was extracted with ethyl acetate. The organic phase was combined and condensed by vacuum concentration to afford the crude product, which was purified by recrystallization to give the designed compounds (4a-4q).

  • 2
  • [ 76322-06-0 ]
  • [ 50551-57-0 ]
YieldReaction ConditionsOperation in experiment
77% With 1,8-diazabicyclo[5.4.0]undec-7-ene; at 160℃; for 3h; A mixture of the product of Step A (1 .28 g, 5.37 mmol) and DBU (0.3 ml) was heated for 3 h at 160 5C with stirring, cooled to room temperature and dissolved in EtOAc: MeOH mixture (99:1 ). The mixture was filtered through the silica bead and the filtrate was evaporated to give the title compound (1 .1 1 g; 77%), as colourless solid. 1H- NMR (CDCI3) 1.40 (tr, 3H, J = 7.13 Hz); 3.85 (s, 3H); 4.40 (q, 2H, J = 7.13, 14.25 Hz); 4.45 (s, 1 H); 6.91 (dd, 1 H, J = 2.25, 8.68 Hz); 7.04 (d, 1 H, J = 1.87 Hz); 7.51 (d, 1 H, J = 5.17 Hz),
77% With 1,8-diazabicyclo[5.4.0]undec-7-ene; at 160℃; for 3h; mixture of the product of Step A (1 .28 g, 5.37 mmol) and DBU (0.3 ml) was heated for 3 h at 160 5C with stirring, cooled to room temperature and dissolved in EtOAc : MeOH mixture (99:1 ). The mixture was filtered through the silica bead and the filtrate was evaporated to give the title compound (1 .1 1 g; 77%), as colourless solid. 1H- NMR (CDCI3) 1.40 (tr, 3H, J = 7.13 Hz); 3.85 (s, 3H); 4.40 (q, 2H, J = 7.13, 14.25 Hz); 4.45 (s, 1 H); 6.91 (dd, 1 H, J = 2.25, 8.68 Hz); 7.04 (d, 1 H, J = 1 .87 Hz); 7.51 (d, 1 H, J = 5.17 Hz),
With potassium carbonate; In N,N-dimethyl-formamide; at 120℃; for 3h; General procedure: Compound 2a-2q(1 mmol) and K2CO3 (3 mmol) were suspended in DMF (10 mL), and the reaction mixture was warmed upto 120 C and refluxed for 3h, and then cooled to room temperature. The precipitation was separated out and purified by recrystallization to get the products 3a-3q.
  • 4
  • [ 150-19-6 ]
  • [ 4504-12-5 ]
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  • 6
  • [ 50551-57-0 ]
  • [ 178628-81-4 ]
  • 7
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  • C22H22N2O9 [ No CAS ]
  • 8
  • [ 50551-57-0 ]
  • [ 41910-91-2 ]
  • 9
  • [ 50551-57-0 ]
  • 6-Methoxy-2,3-dihydro-benzofuran-2-carbonitrile [ No CAS ]
  • 10
  • [ 50551-57-0 ]
  • 6-Methoxy-2,3-dihydro-benzofuran-2-carbonyl chloride [ No CAS ]
  • 11
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  • 6-Methoxy-2,3-dihydro-benzofuran-2-carboxylic acid amide [ No CAS ]
  • 12
  • [ 50551-57-0 ]
  • [ 89197-14-8 ]
  • 13
  • [ 50551-57-0 ]
  • [ 89197-46-6 ]
  • 14
  • [ 50551-57-0 ]
  • [ 860184-19-6 ]
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