1227958-34-0

Basic information

• Product Name: 2-chloro-1-(1-isopropyl-1H-1,2,4-triazol-5-yl)ethanone
• Synonyms: 2-chloro-1-(1-isopropyl-1H-1,2,4-triazol-5-yl)ethanone;2-Chloro-1-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-ethanone
• CAS NO: 1227958-34-0
• Molecular Formula: C₇H₁₀ClN₃O
• Molecular Weight: 187.6268
• Mol File: 1227958-34-0.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 316.1±44.0 °C(Predicted)
• Appearance: /
• Density: 1.32±0.1 g/cm3(Predicted)
• PKA: 0.58±0.10(Predicted)
• CAS DataBase Reference: 2-chloro-1-(1-isopropyl-1H-1,2,4-triazol-5-yl)ethanone(CAS DataBase Reference)
• NIST Chemistry Reference: 2-chloro-1-(1-isopropyl-1H-1,2,4-triazol-5-yl)ethanone(1227958-34-0)
• EPA Substance Registry System: 2-chloro-1-(1-isopropyl-1H-1,2,4-triazol-5-yl)ethanone(1227958-34-0)

Safety Data

• Hazardous Substances Data: 1227958-34-0(Hazardous Substances Data)

Usage

General Description

"2-chloro-1-(1-isopropyl-1H-1,2,4-triazol-5-yl)ethanone" is a chemical compound that consists of a chloro-substituted ethanone group attached to a 1-isopropyl-1H-1,2,4-triazol-5-yl moiety. It is commonly used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals. The compound has applications in the field of medicinal chemistry, particularly in the development of drugs targeted at treating fungal infections. Additionally, it is utilized in the agricultural industry to manufacture pesticides and herbicides. This chemical has the potential for further research and development in the areas of drug discovery and crop protection due to its versatile and beneficial properties.

Upstream product

• 67442-07-3 2-chloro-N-methoxy-N-methylacetamide 
• 63936-02-7 1-isopropyl-4,5-dihydro-1H-1,2,4-triazole 

Relevant articles and documents

Development of a practical synthesis to PI3K α-selective inhibitor GDC-0326

A practical route to PI3K α-selective inhibitor GDC-0326 is reported. The synthesis leverages an existing scheme to a key tetracyclic benzoxazepine intermediate and optimizes it for robustness and scalability, including removing numerous undesired conditions and reagents, as well as eliminating chromatographic purification steps. The process endgame is streamlined to utilize a single-step, stereocontrolled alkylation of the key phenol with a chiral lactamide mesylate, followed by recrystallization of the lactamide ether product, to deliver the desired enantiomer of the active pharmaceutical ingredient (API) GDC-0326.