Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Oxygen | HCID 977 | — |
| Reactant | 2-Nitrotoluene | HCID 6944 | — |
| Reactant | 4-Nitrotoluene | HCID 7473 | — |
| Reactant | Nitrogen Dioxide | HCID 178526396 | — |
| Solvent | Toluene | HCID 1140 | — |
| Product | 2,4-Dinitrotoluene | HCID 8461 | — |
| Product | 2,6-Dinitrotoluene | HCID 11813 | — |
Reaction Steps
After supplying 0.2 mol of toluene and 0.002 mol of ferric chloride to an autoclave, 0.9 mol of liquid nitrogen dioxide was added to the autoclave. Next, oxygen was injected at a pressure of 120 psi. At first the reactants were reacted at room temperature. After 30 minutes, the autoclave was heated to 60° C. and then the reactants were reacted for 3 hours. After the initial 30 minutes, all of toluene was converted into o-nitrotoluene and p-nitrotoluene at a ratio of 55:45, respectively. After 3 hours, 2,4-dinitro-toluene and 2,6-dinitrotoluene (83:17) were formed at a yield of more than 98% analyzed by gas chromatography.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US06291726B1 |
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| Source dataset | uspto-grants-2001_09 |
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| ORD ID | ord-ac58a858b5d24f018d9084ea4e4102e5 |
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| Source note | uspto-grants-2001_09 |
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