222639-41-0

Basic information

• Product Name: (4-FLUOROPHENYLMETHANESULFONYL)-ACETIC ACID
• Synonyms: (4-FLUOROPHENYLMETHANESULFONYL)-ACETIC ACID;RARECHEM AL BO 0826;(4-FLUOROPHENYLMETHANESULPHONYL)ACETIC ACID;(4-Fluoro-ɑ-tolulenesulfonyl)acetic acid;(4-Fluoro-^a-tolulenesulfonyl)acetic acid;(4-Fluoro-alpha-tolulenesulfonyl)acetic acid, 98+%;(4-Fluoro-^a-tolulenesulfonyl)acetic acid, 98+%;2-[(4-fluorophenyl)methylsulfonyl]acetic acid
• CAS NO: 222639-41-0
• Molecular Formula: C₉H₉FO₄S
• Molecular Weight: 232.23
• Mol File: 222639-41-0.mol

Chemical Properties

• Melting Point: 145°C
• Boiling Point: 495°Cat760mmHg
• Flash Point: 253.2°C
• Appearance: /
• Density: 1.464g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.559
• PKA: 2.47±0.10(Predicted)
• CAS DataBase Reference: (4-FLUOROPHENYLMETHANESULFONYL)-ACETIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: (4-FLUOROPHENYLMETHANESULFONYL)-ACETIC ACID(222639-41-0)
• EPA Substance Registry System: (4-FLUOROPHENYLMETHANESULFONYL)-ACETIC ACID(222639-41-0)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 222639-41-0(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
(4-FLUOROPHENYLMETHANESULFONYL)-ACETIC ACID is used as a key intermediate in the synthesis of various pharmaceuticals for its ability to contribute to the development of novel drug molecules with potential therapeutic applications.
Used in Agrochemical Industry:
In the agrochemical sector, (4-FLUOROPHENYLMETHANESULFONYL)-ACETIC ACID is utilized as a precursor in the production of agrochemical products, such as pesticides and herbicides, due to its role in enhancing the effectiveness and selectivity of these compounds.
Used in Chemical Manufacturing:
(4-FLUOROPHENYLMETHANESULFONYL)-ACETIC ACID serves as an important building block in the chemical manufacturing industry, where it is employed in the synthesis of a wide range of organic compounds for various applications, including but not limited to, dyes, polymers, and specialty chemicals.
It is crucial to handle (4-FLUOROPHENYLMETHANESULFONYL)-ACETIC ACID with care and follow appropriate safety measures due to its potential hazardous nature, ensuring the safety of both individuals and the environment.

InChI:InChI=1/C9H9FO4S/c10-8-3-1-7(2-4-8)5-15(13,14)6-9(11)12/h1-4H,5-6H2,(H,11,12)

Upstream product

• 352-11-4 1-chloromethyl-4-fluorobenzene 
• 65051-24-3 p-Fluorobenzylthioacetic acid 

Downstream Products

• 31355-13-2 4-Fluorbenzyl-dijodmethyl-sulfon 
• 300699-53-0 (E)4-Iodostyryl₄-Fluorobenzylsulfone 
• 334969-25-4 (E)-2-hydroxy-3,5-dinitrostyryl 4-fluorobenzyl sulfone 
• 334969-19-6 (E)-2,3,4,5,6-Pentafluorostyryl₄-fluorobenzylsulfone 
• 334969-35-6 (E)-2,3,4-trifluorostyryl 4-fluorobenzyl sulfone 

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.

Synthesis, characterization, and radioprotective activity of α,β-unsaturated aryl sulfone analogs and their Tempol conjugates

Some novel α,β-unsaturated aromatic sulfone analogs (5a-5m) and their Tempol conjugates (6a-6e) have been synthetically prepared, characterized and evaluated for their radioprotective activity under γ-ray radiation. The Tempol conjugates were characterize

Monocyclic heterocycles as kinase inhibitors

The present invention is directed to compounds having the formula and methods for using them for the treatment of cancer.