| Identification | More | [Name]
3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline | [CAS]
641571-11-1 | [Synonyms]
1-(3-Amino-5-trifluoromethylphenyl)-4-methylimidazole
3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline | [EINECS(EC#)]
688-269-6 | [Molecular Formula]
C11H10F3N3 | [MDL Number]
MFCD11846236 | [Molecular Weight]
241.21 | [MOL File]
641571-11-1.mol |
| Chemical Properties | Back Directory | [Melting point ]
124-126°C | [Boiling point ]
372.14℃[at 101 325 Pa] | [density ]
1.35 | [vapor pressure ]
0Pa at 25℃ | [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [solubility ]
DMSO (Slightly), Methanol (Slightly) | [form ]
powder to crystal | [color ]
White to Light gray to Light yellow | [Water Solubility ]
228.6mg/L at 25℃ | [InChI]
InChI=1S/C11H10F3N3/c1-7-5-17(6-16-7)10-3-8(11(12,13)14)2-9(15)4-10/h2-6H,15H2,1H3 | [InChIKey]
WWTGXYAJVXKEKL-UHFFFAOYSA-N | [SMILES]
C1(N2C=C(C)N=C2)C=C(N)C=C(C(F)(F)F)C=1 | [LogP]
2.42 | [CAS DataBase Reference]
641571-11-1(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Description]
3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline(641571-11-1) is a pharmaceutical intermediate component used in the preparation of Nilotinib for the treatment of a variety of leukaemias, including chronic myeloid leukaemia (CML).
| [Chemical Properties]
Beige Solid | [Uses]
Intermediate in the preparation of Nilotinib. | [Application]
3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline(641571-11-1) is an arylimidazole derivative. This compound includes multiple functional groups: aniline, methyl, and imidazole. Hence, the compound is readily available for further functionalization. This building block can typically synthesize homoleptic imidazole-type iridium (Ir) triplet emitters as a blue phosphorescent emitter in OLED. The iridium organometallic complex is formed by coordinating the imidazole and the aryl group to the iridium metal center. The trifluoromethyl group, with a strong electron-withdrawing effect, increases the energy gap between the highest occupied molecular orbital and the lowest unoccupied molecular orbital (HOMO-LUMO), hence enabling a blue shift in the photoluminescent emission[1].
| [References]
[1] Qiang Wei. “Small-Molecule Emitters with High Quantum Efficiency: Mechanisms, Structures, and Applications in OLED Devices.” Advanced Optical Materials 6 20 (2018).
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