76714-87-9

Basic information

• Product Name: (E)-1-(1-(4-chlorophenyl)-3-methoxy-4,4-dimethylpent-1-en-2-yl)-1H-1,2,4-triazole
• Synonyms: (E)-1-(1-(4-chlorophenyl)-3-methoxy-4,4-dimethylpent-1-en-2-yl)-1H-1,2,4-triazole
• CAS NO: 76714-87-9
• Molecular Weight: 305.807
• Mol File: 76714-87-9.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (E)-1-(1-(4-chlorophenyl)-3-methoxy-4,4-dimethylpent-1-en-2-yl)-1H-1,2,4-triazole(CAS DataBase Reference)
• NIST Chemistry Reference: (E)-1-(1-(4-chlorophenyl)-3-methoxy-4,4-dimethylpent-1-en-2-yl)-1H-1,2,4-triazole(76714-87-9)
• EPA Substance Registry System: (E)-1-(1-(4-chlorophenyl)-3-methoxy-4,4-dimethylpent-1-en-2-yl)-1H-1,2,4-triazole(76714-87-9)

Safety Data

• Hazardous Substances Data: 76714-87-9(Hazardous Substances Data)

Upstream product

• 83657-22-1 uniconazole 
• 74-88-4 methyl iodide 

Downstream Products

• 1029540-92-8 (R,E)-1-(1-(4-chlorophenyl)-3-methoxy-4,4-dimethylpent-1-en-2-yl)-1H-1,2,4-triazole 
• 1029292-76-9 C₁₆H₂₀ClN₃O 

Relevant articles and documents

Structure-activity relationship of uniconazole, a potent inhibitor of ABA 8′-hydroxylase, with a focus on hydrophilic functional groups and conformation

The plant growth retardant S-(+)-uniconazole (UNI-OH) is a strong inhibitor of abscisic acid (ABA) 8′-hydroxylase, a key enzyme in the catabolism of ABA, a plant hormone involved in stress tolerance, stomatal closure, flowering, seed dormancy, and other physiological events. In the present study, we focused on the two polar sites of UNI-OH and synthesized 3- and 2″-modified analogs. Conformational analysis and an in vitro enzyme inhibition assay yielded new findings on the structure-activity relationship of UNI-OH: (1) by substituting imidazole for triazole, which increases affinity to heme iron, we identified a more potent compound, IMI-OH; (2) the polar group at the 3-position increases affinity for the active site by electrostatic or hydrogen-bonding interactions; (3) the conformer preference for a polar environment partially contributes to affinity for the active site. These findings should be useful for designing potent azole-containing specific inhibitors of ABA 8′-hydroxylase.