Structure of 623-84-7
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The BI-3802 was designed by Boehringer Ingelheim and could be obtained free of charge through the Boehringer Ingelheim open innovation portal opnMe.com, associated with its negative control.
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| CAS No. : | 623-84-7 |
| Formula : | C7H12O4 |
| M.W : | 160.17 |
| SMILES Code : | CC(OC(C)=O)COC(C)=O |
| English Name : | Propane-1,2-diyl diacetate |
| MDL No. : | MFCD00026201 |
| InChI Key : | MLHOXUWWKVQEJB-UHFFFAOYSA-N |
| Pubchem ID : | 12198 |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

| Yield | Reaction Conditions | Operation in experiment |
|---|---|---|
| With sulfuric acid |
| Yield | Reaction Conditions | Operation in experiment |
|---|---|---|
| With water |
| Yield | Reaction Conditions | Operation in experiment |
|---|---|---|
| With acetic acid |
| Yield | Reaction Conditions | Operation in experiment |
|---|---|---|
| at 470 - 500℃; | ||
| at 470 - 500℃; |
| Yield | Reaction Conditions | Operation in experiment |
|---|---|---|
| at 500℃; bei raschem Erhitzen; |
| Yield | Reaction Conditions | Operation in experiment |
|---|---|---|
| With hydrogenchloride at 30 - 50℃; |
| Yield | Reaction Conditions | Operation in experiment |
|---|---|---|
| Pyrolysis.und Verseifung des erhaltenen Gemisches von Allylacetat und Propenylacetat mit verd.H2SO4; | ||
| at 500℃; Pyrolysis.und nachfolgende Hydrolyse, zunaechst mit verd.H2SO4, dann mit Natronlauge; |
| Yield | Reaction Conditions | Operation in experiment |
|---|---|---|
| 70% | With sulfuric acid for 0.25h; Heating; | |
| With chlorosulphuric acid | ||
| Heating; |
| With pyridine | ||
| at 20℃; for 0.25h; | ||
| 99 %Chromat. | With 1-butyl-3-methylimidazolium 4-methylbenzenenesulfonate; 1-butyl-3-methylimidazolium Tetrafluoroborate at 50℃; for 0.333333h; | |
| 99 %Chromat. | With C13H16NO6S2(1+)*HO4S(1-) at 25℃; for 0.116667h; Green chemistry; |

| Yield | Reaction Conditions | Operation in experiment |
|---|---|---|
| 97% | With methanesulfonic acid at 30 - 35℃; for 6h; | |
| 95% | With sulfonated charcoal In benzene for 6h; Heating; | |
| 92% | With cobalt(II) chloride at 80℃; for 15h; |
| With phosphotungstic acid; 4-(pyridinium-1-yl)butane-1-sulfonate at 105℃; for 2h; | Testing Activity of Esterification General procedure: Solid powders of 706 g (0.0035 mole) of PPS and 5.75 g (0.00175 mole) of un-dried TPA are mixed to be added with 11 g (0.175 mole) of HOAc to be stirred in an oil bath at 105°C. for 10 minutes (mm) for forming two layers of immiscible transparent liquids, where the lower layer is a flowing IL. Then, a mixture solution of 11 g (0.175 mole) of HOAc and 3.22 g (0.03 5 mole) of GL is added to be thrther stirred at 105° C. for 2 irs. Afterreaction, the flask is put on a rotavapor to remove out HOAc and watet Then, two layers of liquids are separated through staying still. The upper layer is a clear ester product; and, the lower layer is a flowing IL. The liquid at the upper layer is taken out to be analyzed with GC for ester products (GMA, GDA and GTA) with mole ratios figured out. When mole ratio (mole %) of GTA is higher and mole % of GMA. is lower, it means that the catalysis system has a higher esterification activity. The present invention has a GL conversion almost close to 100% with mole % of GMA, GDA and GTA as 3.7%, 46.3% and 50.0%, respectively. | |
| With sulfuric acid |

| Yield | Reaction Conditions | Operation in experiment |
|---|---|---|
| With sulfuric acid; iron(II) sulfate at 150 - 170℃; | ||
| at 280℃; | ||
| With sulfuric acid at 160 - 200℃; |
| Yield | Reaction Conditions | Operation in experiment |
|---|---|---|
| With sodium hydrogen sulfate | ||
| With sulfuric acid |
| Yield | Reaction Conditions | Operation in experiment |
|---|---|---|
| With hydrogenchloride at 150℃; |

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