1-(sec-Butyl)-4-(4-(4-(4-(((2S,4S)-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

CAS: 1949771-36-1 2396417-39-1 2396417-40-4 2508141-71-5

Ref. TR-B802510

Product Information

• Name: 1-(sec-Butyl)-4-(4-(4-(4-(((2S,4S)-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,4S)-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/C33H36Cl3N5O4/c1-3-23(2)41-32(42)40(22-37-41)27-7-5-25(6-8-27)38-14-16-39(17-15-38)26-9-11-28(12-10-26)43-19-29-20-44-33(21-34,45-29)30-13-4-24(35)18-31(30)36/h4-13,18,22-23,29H,3,14-17,19-21H2,1-2H3/t23?,29-,33+/m0/s1
• InChI key: InChIKey=QOQWSGSXXQSUOD-UHFFFAOYSA-N
• SMILES: CCCCCCCC(=O)CC(=O)OC