19432-91-8

Basic information

• Product Name: 2-[(4-TRIFLUOROMETHYL)PHENOXY]ETHANETHIOAMIDE
• Synonyms: 2-[(4-TRIFLUOROMETHYL)PHENOXY]ETHANETHIOAMIDE
• CAS NO: 19432-91-8
• Molecular Formula: C9H8F3NOS
• Molecular Weight: 235.23
• Mol File: 19432-91-8.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 314.5 °C at 760 mmHg
• Flash Point: 144 °C
• Appearance: /
• Density: 1.366 g/cm³
• Refractive Index: 1.532
• CAS DataBase Reference: 2-[(4-TRIFLUOROMETHYL)PHENOXY]ETHANETHIOAMIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[(4-TRIFLUOROMETHYL)PHENOXY]ETHANETHIOAMIDE(19432-91-8)
• EPA Substance Registry System: 2-[(4-TRIFLUOROMETHYL)PHENOXY]ETHANETHIOAMIDE(19432-91-8)

Safety Data

• Hazardous Substances Data: 19432-91-8(Hazardous Substances Data)

Usage

General Description

2-[(4-TRIFLUOROMETHYL)PHENOXY]ETHANETHIOAMIDE is a chemical compound with the molecular formula C10H9F3NO2S. It is a thioamide derivative of 4-trifluoromethylphenol and ethane. 2-[(4-TRIFLUOROMETHYL)PHENOXY]ETHANETHIOAMIDE is a white solid with a molecular weight of 263.24 g/mol. It is primarily used in pharmaceutical research and development as a building block for the synthesis of various compounds. Additionally, it has potential applications in the field of organic synthesis and material science due to its unique chemical properties. However, it is important to handle and use this compound with caution, as it may pose certain health and safety risks.

InChI:InChI=1/C9H8F3NOS/c10-9(11,12)6-1-3-7(4-2-6)14-5-8(13)15/h1-4H,5H2,(H2,13,15)

Upstream product

• 874804-02-1 (4-trifluoromethyl-phenoxy)-acetonitrile 
• 402-45-9 4-hydroxybenzotrifluoride 

Relevant articles and documents

Design, synthesis, biological evaluation and molecular modeling of N-isobutyl-N-((2-(p-tolyloxymethyl)thiazol-4yl)methyl)benzo[d][1,3] dioxole-5-carboxamides as selective butyrylcholinesterase inhibitors

Butyrylcholinesterase (BuChE) is recently regarded as a biomarker in progressed Alzheimer's disease (AD). Development of selective BuChE inhibitors has attracted a great deal of interest and may be a viable therapeutic strategy for AD. Recently, we reported the N-isobutyl-N-((2-(p-tolyloxymethyl)thiazol-4-yl)methyl)benzo[d][1,3]dioxole-5-carboxamide (1) as a selective BuChE inhibitor. Subsequently, 33 analogs were synthesized and assessed by AChE/BuChE activities, indicating an optimal compound 23. Further kinetic tests suggested a competitive manner. Molecular docking and Molecular dynamics (MD) simulation showed that it interacted with several residues in active site gorge of BuChE, possibly contributing to its selectivity and competitive pattern. Moreover, it showed low cytotoxicity and high blood brain barrier (BBB) permeability. Taken together, 23 was a promising BuChE inhibitor for the treatment of AD.