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[ CAS No. 16859-59-9 ]

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Chemical Structure| 16859-59-9
Chemical Structure| 16859-59-9
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CAS No. :16859-59-9 MDL No. :MFCD00956142
Formula : C8H6O3 Boiling Point : 362.6°C at 760 mmHg
Linear Structure Formula :- InChI Key :N/A
M.W :150.13 g/mol Pubchem ID :3804259
Synonyms :

Safety of [ 16859-59-9 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 16859-59-9 ]

  • Upstream synthesis route of [ 16859-59-9 ]
  • Downstream synthetic route of [ 16859-59-9 ]

[ 16859-59-9 ] Synthesis Path-Upstream   1~4

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Reference: [1] Journal of Heterocyclic Chemistry, 1987, vol. 24, p. 877
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  • [ 868-85-9 ]
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YieldReaction ConditionsOperation in experiment
95% With sodium methylate In methanol at 0 - 20℃; for 1 h; Dimethyl phosphite (11 g, 0.1 mol) at 0 ° CAdd dropwise to a solution of sodium methoxide in methanol (100 ml).Then 2-carboxy benzaldehyde (10.5g, 0.05mol)Add to the reaction system,The entire process temperature is controlled below 5 °C.Thereafter, the mixture was heated to room temperature for 1 hour.Methanesulfonic acid (10.6 g, 0.11 mol) was added.The reaction solution was concentrated and washed with water and chloroform.The organic layers were combined and dried over anhydrous NaSO4.Concentrated to:3-oxo-1,3-dihydroxy-isobenzofuran-1-phosphate dimethyl ester (16 g),The yield was 95percent.
Reference: [1] Patent: CN108191770, 2018, A, . Location in patent: Paragraph 0048; 0050-0052
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YieldReaction ConditionsOperation in experiment
95%
Stage #1: at 0 - 20℃; for 1 h;
Stage #2: With methanesulfonic acid In methanol
Dimethyl phosphite (22.0 g, 0.2 mol) was added drop-wise to a solution of sodium methoxide (43.0 g) in methanol (100 ml) at 0oC. 2- Carboxybenzaldehyde (21.0 g, 0.1 mol) was then added portion-wise to the reaction mixture as a slurry in methanol (40 ml), with the temperature kept below 5oC. The resulting pale yellow solution was warmed to 20oC over 1 hour. Methanesulphonic acid (21.2 g, 0.22 mol) was added to the reaction drop-wise and the resulting white suspension was evaporated in vacuo. The white residue was quenched with water and extracted into chloroform (3 x 100 ml). The combined organic extracts were washed with water (2 x 100 ml), dried over MGSO4, and evaporated in vacuo to yield (3-OXO-1, 3-dihydro-isobenzofuran-1-yl) phosphonic acid dimethyl ester as a white solid (32.0 g, 95 percent, 95 percent purity). This was then used without further purification in the next stage
Reference: [1] Patent: WO2004/80976, 2004, A1, . Location in patent: Page 46
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Reference: [1] Patent: CN108794405, 2018, A,
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