1282516-77-1

Basic information

• Product Name: 1H-IMidazole-1-ethanol, 2-(4-broMo-2-fluorophenyl)-4-[3-Methyl-1-(1-Methylethyl)-1H-1,2,4-triazol-5-yl]-
• Synonyms: 1H-IMidazole-1-ethanol, 2-(4-broMo-2-fluorophenyl)-4-[3-Methyl-1-(1-Methylethyl)-1H-1,2,4-triazol-5-yl]-;2-(2-(4-bromo-2-fluorophenyl)-4-(1-isopropyl-3-methyl-1H-1,2,4-triazol- 5-yl)-1H-imidazol-1-yl)ethanol;2-(2-(4-bromo-2-fluorophenyl)-4-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-1H-imidazol-1-yl)ethan-1-ol
• CAS NO: 1282516-77-1
• Molecular Formula: C₁₇H₁₉BrFN₅O
• Molecular Weight: 408.2680632
• Mol File: 1282516-77-1.mol
• Article Data: 3

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1H-IMidazole-1-ethanol, 2-(4-broMo-2-fluorophenyl)-4-[3-Methyl-1-(1-Methylethyl)-1H-1,2,4-triazol-5-yl]-(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-IMidazole-1-ethanol, 2-(4-broMo-2-fluorophenyl)-4-[3-Methyl-1-(1-Methylethyl)-1H-1,2,4-triazol-5-yl]-(1282516-77-1)
• EPA Substance Registry System: 1H-IMidazole-1-ethanol, 2-(4-broMo-2-fluorophenyl)-4-[3-Methyl-1-(1-Methylethyl)-1H-1,2,4-triazol-5-yl]-(1282516-77-1)

Safety Data

• Hazardous Substances Data: 1282516-77-1(Hazardous Substances Data)

Usage

Molecular Structure

The compound consists of a 1-methyl-1H-1,2,4-triazol-5-yl group and a 2-(4-bromo-2-fluorophenyl)-4-(3-methyl-1-propan-2-yl)-1H-imidazole-1-ethanol moiety.

Heterocyclic Rings

Contains imidazole and triazole rings, which are commonly found in pharmaceuticals and biologically active compounds.

Potential Biological Activity

The presence of these heterocyclic structures suggests that the compound may have potential biological activity.

Synthetic Organic Molecule

This compound is a synthetic organic molecule, which means it can be used in research or drug development.

Bromo and Fluoro Substitution

The compound has a bromine atom and a fluorine atom attached to the phenyl ring, which may influence its properties and potential applications.

Methyl and Ethyl Groups

The presence of a 1-methyl group in the 1,2,4-triazol ring and a 3-methyl group in the 1-propan-2-yl moiety, as well as an ethanol group, may affect the compound's solubility, stability, and reactivity.

Need for Further Research

To fully understand the properties and potential applications of this chemical, additional research and analysis are required.

Upstream product

• 105942-08-3 4-bromo-6-fluorobenzonitrile 
• 635702-31-7 4-bromo-2-fluoro-N-hydroxybenzimidamide 
• 1401305-30-3 1-isopropyl-3-methyl-1H-1,2,4-triazole 
• 1282517-47-8 2-isopropyl-5-methyl-2H-[1,2,4]triazole-3-carboxylic acid ethyl ester 
• 4466-50-6 1-acetyl-2-isopropylhydrazine 
• 3742-63-0 acetic acid isopropylidenehydrazide 
• 1282517-46-7 2-bromo-1-(2-isopropyl-5-methyl-2H-[1,2,4]triazol-3-yl)-ethanone 
• 96-49-1 [1,3]-dioxolan-2-one 
• 1282516-76-0 5-(2-(4-bromo-2-fluorophenyl)-1H-imidazol-4-yl)-1-isopropyl-3-methyl-1H-1,2,4-triazole 

Downstream Products

• 1282513-03-4 2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)-1H-pyrazol-1-yl)-2-methylpropanoic acid 
• 1282512-48-4 taselisib 
• 1282514-63-9 9-bromo-2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f ]imidazo[1,2-d][1,4]oxazepine 
• 1282514-64-0 ethyl 2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)-1H-pyrazol-1-yl)-2-methylpropanoate 

Relevant articles and documents

Manufacture of the PI3K β-Sparing Inhibitor Taselisib. Part 1: Early-Stage Development Routes to the Bromobenzoxazepine Core

Two convergent regioselective routes for the synthesis of the tetracyclic imidazobenzoxazepine triazole 1, a key intermediate toward the synthesis of taselisib, are described. In the first-generation route, a chemoselective Negishi cross-coupling reaction was developed between iodoimidazole 3 and triazole 7, which enabled the delivery of initial kilogram quantities of 1. Because of the inefficiencies in the preparation of the imidazole 3, a second-generation route via a highly regioselective imidazole ring formation between α-chloroketone 11 and aryl amidine 12 was developed. The resulting imidazole 14 provided the handle to efficiently install the seven-membered benzoxazepine ring system in one pot with two-step N-alkylation and SNAr tandem reactions.

BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE

Benzoxazepin Formula I compounds, including stereoisomers, geometric isomers, tautomers, metabolites and pharmaceutically acceptable salts thereof, are useful for inhibiting the delta isoform of PI3K, and for treating disorders mediated by lipid kinases such as inflammation, immunological disorders, and cancer. Methods of using compounds of Formula I for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.