1-(sec-Butyl)-4-(4-(4-(4-(((2S,4R)-2-(chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one

Ref. TR-B802535

Product Information

• Name: 1-(sec-Butyl)-4-(4-(4-(4-(((2S,4R)-2-(chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one

Description

Applications 1-(sec-Butyl)-4-(4-(4-(4-(((2S,4R)-2-(chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one is an intermediate in the synthesis of Itraconazole (I937500), an orally active antimycotic structurally related to Ketoconazole. Antifungal.
References Heykants, J., et al.: Mycoses, 32, Suppl 1, 67 (1989), Sugar, A.M.,et al.: Curr. Clin. Top. Infect. Dis., 13, 74 (1993),

• Brand: TRC

Chemical properties

• Molecular weight: 673.03
• Formula: C₃₃H₃₆Cl₃N₅O₄
• Color/Form: White Solid
• InChI: InChI=1S/C9H19NO2.ClH/c1-3-4-5-7-10(2)8-6-9(11)12;/h3-8H2,1-2H3,(H,11,12);1H
• InChI key: InChIKey=YDWXRULMHQZBEX-UHFFFAOYSA-N
• SMILES: CCCCCN(C)CCC(=O)O.Cl