| Identification | Back Directory | [Name]
2,5-Cyclohexadiene-1,4-dione, 2-[(1-methylethyl)amino]-5-(phenylamino)- | [CAS]
68054-73-9 | [Synonyms]
2-(isopropylamino)-5-(phenylamino)cyclohexa-2,5-diene-1,4-dione
2,5-Cyclohexadiene-1,4-dione, 2-[(1-methylethyl)amino]-5-(phenylamino)- | [Molecular Formula]
C15H16N2O2 | [MOL File]
68054-73-9.mol | [Molecular Weight]
256.3 |
| Chemical Properties | Back Directory | [Melting point ]
206 °C(Solv: ethanol (64-17-5)) | [Boiling point ]
412.1±45.0 °C(Predicted) | [density ]
1.18±0.1 g/cm3(Predicted) | [solubility ]
Acetonitrile: Slightly soluble: 0.1-1 mg/ml
DMSO: Sparingly soluble: 1- 10 mg/ml | [pka]
0.87±0.20(Predicted) | [InChI]
InChI=1S/C15H16N2O2/c1-10(2)16-12-8-15(19)13(9-14(12)18)17-11-6-4-3-5-7-11/h3-10,16-17H,1-2H3 | [InChIKey]
ZQAFKGDWLSVTRI-UHFFFAOYSA-N | [SMILES]
C1(=O)C=C(NC2=CC=CC=C2)C(=O)C=C1NC(C)C |
| Hazard Information | Back Directory | [Uses]
2-[(1-Methylethyl)amino]-5-(phenylamino)-2,5-cyclohexadiene-1,4-dione is a useful intermediate for organic synthesis. It is used in the preparation of 1,4-benzoquinones or p-quinones, which are archetypical members of the quinoid family that attracts interest across various disciplines with wide applications and relevance in the fields of dyes, functional materials, biointerfaces, ligands, redox processes, pharmacology and toxicology. | [References]
[1] WEI WANG . Toxicity of substituted p-phenylenediamine antioxidants and their derived novel quinones on aquatic bacterium: Acute effects and mechanistic insights[J]. Journal of Hazardous Materials, 2024, 469: Article 133900. DOI: 10.1016/j.jhazmat.2024.133900
[2] WEI WANG, ZONGWEI CAI* Beyond Substituted p-Phenylenediamine Antioxidants: Prevalence of Their Quinone Derivatives in PM2.5[J]. 環(huán)境科學(xué)與技術(shù), 2022, 56 15: 10629-10637. DOI: 10.1021/acs.est.2c02463 |
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