65051-24-3

Basic information

• Product Name: (4-FLUOROBENZYL)THIO]ACETIC ACID
• Synonyms: Aceticacid, [[(4-fluorophenyl)methyl]thio]- (9CI)
• CAS NO: 65051-24-3
• Molecular Formula: C₉H₉FO₂S
• Molecular Weight: 200.232
• Mol File: 65051-24-3.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 330.7°C at 760 mmHg
• Flash Point: 153.8°C
• Appearance: /
• Density: 1.321g/cm³
• Vapor Pressure: 6.56E-05mmHg at 25°C
• Refractive Index: 1.573
• CAS DataBase Reference: (4-FLUOROBENZYL)THIO]ACETIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: (4-FLUOROBENZYL)THIO]ACETIC ACID(65051-24-3)
• EPA Substance Registry System: (4-FLUOROBENZYL)THIO]ACETIC ACID(65051-24-3)

Safety Data

• Hazardous Substances Data: 65051-24-3(Hazardous Substances Data)

Usage

General Description

(4-Fluorobenzyl)thio]acetic acid is a chemical compound with the molecular formula C9H9FO2S. It is a thioester derivative of (4-fluorophenyl) acetic acid and contains a fluorine atom attached to a benzene ring. (4-FLUOROBENZYL)THIO]ACETIC ACID is commonly used in organic synthesis and drug discovery research, where it serves as a building block for the development of pharmaceuticals and other biologically active compounds. It may also have potential applications in the fields of medicinal chemistry and chemical biology due to its structural and functional properties. Additionally, it is important to handle this compound with care and follow proper safety protocols due to its potential hazardous nature.

InChI:InChI=1/C9H9FO2S/c10-8-3-1-7(2-4-8)5-13-6-9(11)12/h1-4H,5-6H2,(H,11,12)

Upstream product

• 68-11-1 mercaptoacetic acid 
• 352-11-4 1-chloromethyl-4-fluorobenzene 
• 3926-62-3 sodium monochloroacetic acid 
• 79-11-8 chloroacetic acid 

Downstream Products

• 222639-41-0 2-[(4-fluorobenzyl)sulfonyl]acetic acid 
• 65051-27-6 Fluorbenzylsulfinylacetohydroxamsaeure 
• 65051-26-5 2-(4-fluorobenzylmercapto)-acetohydroxamic acid 

Relevant articles and documents

Design, synthesis and preliminary biological evaluation of benzylsulfone coumarin derivatives as anti-cancer agents

In this work, a series of benzylsulfone coumarin derivatives 5a-5o were synthesized and characterized. Kinase inhibitory activity assay indicated that most of the compounds showed considerable activity against PI3K. Anti-tumor activity studies of the active compounds were also carried out in vitro on the Hela, HepG2, H1299, HCT-116, and MCF-7 tumor cell lines by MTS assay. The structure-activity relationships (SARs) of these compounds were analyzed in detail. Compound 5h exhibited the most potent activities against the mentioned cell lines with IC50 values ranging from 18.12 to 32.60 μM, followed by 5m with IC50 values of 29.30-42.14 μM. Furthermore, 5h and 5m clearly retarded the migration of Hela cells in vitro. Next, an in silico molecular docking study was conducted to evaluate the binding models of 5h and 5m towards PI3Kαand PI3Kβ. Collectively, the above findings suggested that compounds 5h and 5m might be promising PI3K inhibitors deserving further investigation for cancer treatment.

Acetohydroxamic acids

The invention provides new acetohydroxamic acid derivatives, having interesting properties on the central nervous system, of the formula: R1 R2 R3 C-CO-NHOH, in which R2 and R3 are each hydrogen or C1-6 alkyl, and R1 is C1-6 alkyl Z1 Z2 N (where Z1 and Z2 are each phenyl, substituted phenyl, or cycloalkyl), substituted hydantoinyl, benzhydroxylcarboxamido, Z3 CH2 -- (where Z3 = optionally substituted aryl), Z4 -A- (where Z4 is optionally substituted phenyl or naphthyl, and A is --NH--, --N(C1-4 alkyl)--, --N(C5-6 cycloalkyl)--, --NHCO--, --N(C1-4 alkyl)CO--, --N(C5-6 cycloalkyl)CO--, --CONH--, --CON(C1-4 alkyl)--, --CON(C5-6 cycloalkyl)--, --NHCONH--, --N(C5 H6)CONH--, or --N(substituted phenyl)CONH--, optionally substituted benzimidazolyl, or an optionally substituted tricyclic radical, and their metal and acid addition salts.