| Identification | Back Directory | [Name]
3,6-DIPHENYL-1,2,4,5-TETRAZINE | [CAS]
6830-78-0 | [Synonyms]
Nsc73054
Diphenyl-s-tetrazine
3,6-Diphenyltetrazine
2,6-diphenyl-s-tetrazin
3,6-DIPHENYL-S-TETRAZINE
s-Tetrazine, 3,6-diphenyl-
3,6-Diphenyl-sym-tetrazine
4,5-tetrazine,3,6-diphenyl-2
3,6-DIPHENYL-1,2,4,5-TETRAZINE
3,6-Diphenyl-1,2,4,5-tetraazine
1,2,4,5-Tetrazine, 3,6-diphenyl- | [Molecular Formula]
C14H10N4 | [MDL Number]
MFCD00023646 | [MOL File]
6830-78-0.mol | [Molecular Weight]
234.26 |
| Chemical Properties | Back Directory | [Melting point ]
198 °C (dec.)(lit.)
| [Boiling point ]
446.0±28.0 °C(Predicted) | [density ]
1.214±0.06 g/cm3(Predicted) | [storage temp. ]
Hygroscopic, Refrigerator, under inert atmosphere | [solubility ]
chloroform: soluble25mg/mL, clear, very dark red | [form ]
Solid | [pka]
0.36±0.10(Predicted) | [color ]
Dark Purple | [Stability:]
Hygroscopic |
| Hazard Information | Back Directory | [Uses]
3,6-Diphenyl-1,2,4,5-tetrazine may be used in the preparation of dihydropyridazine derivatives, via reaction with cis,cis-cycloocta-1,5-diene. | [Application]
3,6-Diphenyl-1,2,4,5-tetrazine is an electron-deficient heteroaromatic azadiene that undergoes reverse electron-demand cycloaddition reactions with a variety of dienophiles. | [Preparation]
A mixture of benzonitrile (84 mmol) and 95% hydrazine (100 mL) is heated at 100 °C for 72 h. The resulting orange-yellow solid is broken up, washed with H2O, air dried, ground to a fine powder, and added to 100 mL of 10% acetic acid. Small portions of sodium nitrite are added to this solution while warming at 100 °C for 1 h. 3,6-DIPHENYL-1,2,4,5-TETRAZINE thus produced is collected, washed with H2O, and recrystallized from EtOH. | [General Description]
3,6-Diphenyl-1,2,4,5-tetrazine is an an electron-deficient heteroaromatic azadiene. It participates in inverse electron demand cycloaddition reactions with various dienophiles. It is reported to participate in facile inverse electron demand Diels-Alder reactions with “tunable” reaction rates. The electron transport characteristics of 3,6-diphenyl-1,2,4,5-tetrazine (DPT) single molecular conductor have been studied by density functional theory (DFT) method. Basicity of 3,6-diphenyl-1,2,4,5-tetrazine in aqueous solutions of sulfuric acid (pKBH+) is -4.8. It undergoes thermal Diels-Alder reaction with C60 to afford monoadducts, possessing a diaryldihydropyridazine function nested atop the fullerene. |
| Spectrum Detail | Back Directory | [Spectrum Detail]
3,6-DIPHENYL-1,2,4,5-TETRAZINE(6830-78-0)MS
3,6-DIPHENYL-1,2,4,5-TETRAZINE(6830-78-0)1HNMR
3,6-DIPHENYL-1,2,4,5-TETRAZINE(6830-78-0)13CNMR
3,6-DIPHENYL-1,2,4,5-TETRAZINE(6830-78-0)IR1
3,6-DIPHENYL-1,2,4,5-TETRAZINE(6830-78-0)IR2
3,6-DIPHENYL-1,2,4,5-TETRAZINE(6830-78-0)Raman
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Alfa Aesar
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TCI Europe
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