224047-41-0

Basic information

• Product Name: 1-[2-(4-CHLOROPHENYL)-1-(1-HYDROXY-1-PHENYLETHYL)ETHYL]-1,2,4-TRIAZOLE
• Synonyms: BRASSINAZOLE;3-(4-CHLOROPHENYL)-1-METHYL-1-PHENYL-2-(1,2,4-TRIAZOL-1-YL)-1-PROPANOL;1-[2-(4-CHLOROPHENYL)-1-(1-HYDROXY-1-PHENYLETHYL)ETHYL]-1,2,4-TRIAZOLE;1-[2-(4-Chlorophenyl)-1-(1-hydroxy-1-phenylethyl)ethyl]-1,2,4-triazole 3-(4-Chlorophenyl)-1-methyl-1-phenyl-2-(1,2,4-triazol-1-yl)-1-propanol;1-[2-(4-Chlorophenyl)-1-(1-hydroxy-1-phenylethyl)e;4-(4-Chlorophenyl)-2-phenyl-3-(1H-1,2,4-triazol-1-yl)butan-2-ol
• CAS NO: 224047-41-0
• Molecular Formula: C18H18ClN3O
• Molecular Weight: 327.81
• Mol File: 224047-41-0.mol

Chemical Properties

• Boiling Point: 533.1oC at 760 mmHg
• Flash Point: 276.2oC
• Appearance: /
• Density: 1.22
• Vapor Pressure: 3.41E-12mmHg at 25°C
• Refractive Index: 1.616
• PKA: 13.11±0.29(Predicted)
• CAS DataBase Reference: 1-[2-(4-CHLOROPHENYL)-1-(1-HYDROXY-1-PHENYLETHYL)ETHYL]-1,2,4-TRIAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-[2-(4-CHLOROPHENYL)-1-(1-HYDROXY-1-PHENYLETHYL)ETHYL]-1,2,4-TRIAZOLE(224047-41-0)
• EPA Substance Registry System: 1-[2-(4-CHLOROPHENYL)-1-(1-HYDROXY-1-PHENYLETHYL)ETHYL]-1,2,4-TRIAZOLE(224047-41-0)

Safety Data

• Safety Statements: 24/25
• Hazardous Substances Data: 224047-41-0(Hazardous Substances Data)

Usage

Uses

Used in Plant Growth Regulation:
1-[2-(4-CHLOROPHENYL)-1-(1-HYDROXY-1-PHENYLETHYL)ETHYL]-1,2,4-TRIAZOLE is used as a plant growth regulator for the inhibition of brassinosteroid biosynthesis. This application is particularly relevant in the study of plant growth and development, as brassinosteroids play a crucial role in these processes. By inhibiting brassinosteroid biosynthesis, this compound can induce morphological changes in plants, such as dwarfism, altered leaf color, and curling.
Used in Pharmaceutical Industry:
1-[2-(4-CHLOROPHENYL)-1-(1-HYDROXY-1-PHENYLETHYL)ETHYL]-1,2,4-TRIAZOLE may also have potential applications in the pharmaceutical industry, given its unique chemical structure. It could be used as a starting material or intermediate in the synthesis of various drugs, particularly those targeting specific biological pathways or receptors.
Used in Chemical Research:
1-[2-(4-CHLOROPHENYL)-1-(1-HYDROXY-1-PHENYLETHYL)ETHYL]-1,2,4-TRIAZOLE can be utilized in chemical research to explore its reactivity, stability, and potential interactions with other molecules. Understanding these properties can lead to the development of new compounds with specific applications in various industries, such as agriculture, pharmaceuticals, or materials science.

InChI:InChI=1/C18H18ClN3O/c1-18(23,15-5-3-2-4-6-15)17(22-13-20-12-21-22)11-14-7-9-16(19)10-8-14/h2-10,12-13,17,23H,11H2,1H3

Upstream product

• 58905-26-3 1-phenyl-2-(1H-1,2,4-triazol-1-yl)ethanone 
• 22433-39-2 1-methyl-1-phenylallene 
• 288-88-0 1,2,4-Triazole 
• 70-11-1 α-bromoacetophenone 
• 75-16-1 methylmagnesium bromide 
• 60850-62-6 3-(4-chloro-phenyl)-1-phenyl-2-[1,2,4]triazol-1-yl-propan-1-one 

Relevant articles and documents

Enantioselective palladium-catalyzed diboration of 1,1-disubstituted allenes

A practical and enantioselective palladium-catalyzed diboration of 1,1-disubstituted allenes is developed by employing a P-chiral monophosphorus ligand, BI-DIME. A series of diboronic esters containing a chiral tertiary boronic ester moiety are formed in excellent yields and ee's with the palladium loading as low as 0.2 mol%. DFT calculations revealed a concerted mechanism of oxidative addition of bis(pinacolato)diboron and allene insertion, as well as a critical dispersion effect on the origins of the enantioselectivity. The method is successfully applied to the concise and enantioselective synthesis of brassinazole.

New lead compounds for brassinosteroid biosynthesis inhibitors

The first brassinosteroid biosynthesis inhibitor is reported. Among newly synthesized triazole derivatives, 4-(4-chlorophenyl)-2-phenyl-3- (1,2,4-triazoyl)butan-2-ol (6) was found to inhibit the growth of cress seedlings, and this inhibition was recovered by the treatment of brassinolide, suggesting that compound 6 primarily inhibits brassinosteroid biosynthesis.