Application of 86404-63-9. So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic. Compound: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone, is researched, Molecular C10H7F2N3O, CAS is 86404-63-9, about Synthesis and crystallographic characterization of 1-((2-(2,4-difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole. A crucial intermediate for the synthesis of azole antifungal drugs.
Preparation of 1-((2-(2,4-difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole(I) was accomplished in two steps. 1H-1,2,4-triazole was reacted with 2,4-difluoro-α-chloroacetophenone in presence of K2CO3 in refluxing toluene to provide the compound 2,4-difluoro-α-(1H-1,2,4-triazol-2-yl)acetophenone (II). The compound II was treated with trimethylsulfoxonium iodide in aqueous NaOH and toluene to provide the title oxirane. The compound I, previously isolated as an oil, was crystallized from (DCM/MeOH) and characterized by X-ray crystallog.: triclinic, space group P – 1, a = 7.3225 (15), b = 7.5833 (15), c = 9.856 (2) Å, α = 91.908 (12), β = 100.824 (11), γ = 103.800 (11)°, V = 520.28 (18) Å3, Z = 2. This important intermediate I, normally an oil, was crystallized, and its crystal structure includes a stepped conformation with nearly parallel triazole and Ph rings. Lack of classical hydrogen-bond donors leads to packing dominated by weaker interactions, including C-H…N, C-H…F and F…F contacts.
The article 《Synthesis and crystallographic characterization of 1-((2-(2,4-difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole. A crucial intermediate for the synthesis of azole antifungal drugs》 also mentions many details about this compound(86404-63-9)Application of 86404-63-9, you can pay attention to it, because details determine success or failure
Reference:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics