|
|
| | 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline Basic information |
| | 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline Chemical Properties |
| 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) |
| Risk Statements | 41 | | Safety Statements | 26-39 | | RIDADR | 2811 | | WGK Germany | WGK 3 | | HazardClass | 6.1 | | PackingGroup | Ⅲ | | HS Code | 2933299090 | | Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects |
| | 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline Usage And Synthesis |
| Description | 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline 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 | 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline is a white to light grey to light yellow powder to crystals with a melting point of 130 °C. | | Uses | Intermediate in the preparation of Nilotinib. | | Application | 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline 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).
|
| | 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline Preparation Products And Raw materials |
|