1282516-76-0

Basic information

• Product Name: 1H-1,2,4-Triazole, 5-[2-(4-broMo-2-fluorophenyl)-1H-iMidazol-5-yl]-3-Methyl-1-(1-Methylethyl)-
• Synonyms: 1H-1,2,4-Triazole, 5-[2-(4-broMo-2-fluorophenyl)-1H-iMidazol-5-yl]-3-Methyl-1-(1-Methylethyl)-;5-[2-(4-Bromo-2-fluoro-phenyl)-1H-imidazol-4-yl]-1-isopropyl-3-methyl-1H-[1,2,4]triazole
• CAS NO: 1282516-76-0
• Molecular Formula: C₁₅H₁₅BrFN₅
• Molecular Weight: 364.2155032
• Mol File: 1282516-76-0.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 569.6±60.0 °C(Predicted)
• Appearance: /
• Density: 1.57±0.1 g/cm3(Predicted)
• PKA: 9.69±0.12(Predicted)
• CAS DataBase Reference: 1H-1,2,4-Triazole, 5-[2-(4-broMo-2-fluorophenyl)-1H-iMidazol-5-yl]-3-Methyl-1-(1-Methylethyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-1,2,4-Triazole, 5-[2-(4-broMo-2-fluorophenyl)-1H-iMidazol-5-yl]-3-Methyl-1-(1-Methylethyl)-(1282516-76-0)
• EPA Substance Registry System: 1H-1,2,4-Triazole, 5-[2-(4-broMo-2-fluorophenyl)-1H-iMidazol-5-yl]-3-Methyl-1-(1-Methylethyl)-(1282516-76-0)

Safety Data

• Hazardous Substances Data: 1282516-76-0(Hazardous Substances Data)

Usage

Molecular structure

Contains a triazole ring and an imidazole ring.

Functional groups

Contains a 4-bromo-2-fluorophenyl group and a 3-methyl-1-(1-methylethyl) group.

Potential applications

Has potential applications in pharmaceuticals and agrochemicals due to its structural features and biological activities.

Suitability

May be suitable for use in the development of new drugs or pesticides.

Further research

Further research and investigation may be required to fully understand the potential uses and effects of this chemical.
Please note that this is a brief summary based on the provided material and further research may be needed to fully understand the properties and potential applications of this chemical.

Upstream product

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

Downstream Products

• 1282516-77-1 2-(2-(4-bromo-2-fluorophenyl)-4-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-1H-imidazol-1-yl)ethanol 
• 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 
• 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 

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.