1-(sec-Butyl)-4-(4-(4-(4-(((2R,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-B802530

Product Information

• Name: 1-(sec-Butyl)-4-(4-(4-(4-(((2R,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-(((2R,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: 474.413
• Formula: C₃₃H₃₆Cl₃N₅O₄
• Color/Form: White Solid
• InChI: InChI=1S/C20H26O13/c1-9(21)28-8-16(30-11(3)23)18(32-13(5)25)19-17(31-12(4)24)14(29-10(2)22)7-15(33-19)20(26)27-6/h7,14,16-19H,8H2,1-6H3/t14?,16-,17?,18-,19?/m1/s1
• InChI key: InChIKey=PSLDDVLWELZUJX-VKTWBHRUSA-N
• SMILES: COC(=O)C1=CC(OC(C)=O)C(OC(C)=O)C([C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)O1