402-93-7

Basic information

• Product Name: AKOS B018301
• Synonyms: CHEMBRDG-BB 3018301;AKOS B018301;(5E)-5-(4-fluorobenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one;5-(4-Fluorobenzylidene)rhodanine;Brn 0171047;Nsc 32121;Rhodanine, 5-(4-fluorobenzylidene)-;Rhodanine, 5-(p-fluorobenzylidene)- (8ci)
• CAS NO: 402-93-7
• Molecular Formula: C₁₀H₆FNOS₂
• Molecular Weight: 239.29
• Mol File: 402-93-7.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 360.7°C at 760 mmHg
• Flash Point: 172°C
• Appearance: /
• Density: 1.5g/cm³
• Vapor Pressure: 2.17E-05mmHg at 25°C
• Refractive Index: 1.706
• Storage Temp.: 2-8°C
• CAS DataBase Reference: AKOS B018301(CAS DataBase Reference)
• NIST Chemistry Reference: AKOS B018301(402-93-7)
• EPA Substance Registry System: AKOS B018301(402-93-7)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 402-93-7(Hazardous Substances Data)

Usage

General Description

AKOS B018301 is a unique identifier used in chemical databases to denote Isovanillin. Isovanillin, also known as 3-Hydroxy-4-methoxybenzaldehyde, is known for its distinctive, sweet smell and is often used as a flavoring agent in food production. Apart from its aromatics applications, it also has medical relevance as a selective inhibitor of aldehyde oxidase. It is a derivative of vanillin, which is produced commercially from guaiacol or lignin. In chemistry, it acts as a useful reagent in the preparation of various pharmaceutical compounds and for chemical synthesis. Its side effects or potential hazards are not well-documented, but it is generally considered safe when used in accordance with established industrial and consumption standards.

InChI:InChI=1/C10H6FNOS2/c11-7-3-1-6(2-4-7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)/b8-5+

Upstream product

• 141-84-4 2-thioxo-4-thiazolidinone 
• 459-57-4 4-fluorobenzaldehyde 
• 462-06-6 fluorobenzene 
• 98026-85-8 5-chloromethylene-2-thioxo-thiazolidin-4-one 

Downstream Products

• 29529-79-1 (4-fluorophenyl)-2-mercaptoacrylic acid 
• 104183-62-2 5-(p-Fluorobenzylidene)-3--4-oxo-thiazolidine-2-thione 
• 104183-60-0 5-(p-Fluorobenzylidene)-3--4-oxo-thiazolidine-2-thione 
• 104183-63-3 5-(p-Fluorobenzylidene)-3--4-oxo-thiazolidine-2-thione 
• 104183-61-1 5-(p-Fluorobenzylidene)-3--4-oxo-thiazolidine-2-thione 

Relevant articles and documents

Introducing broadened antibacterial activity to rhodanine derivatives targeting enoyl-acyl carrier protein reductase

Broadened antibacterial activity was introduced to rhodanine derivatives targeting Mycobacterial tuberculosis enoyl-acyl carrier protein reductase (Mtb InhA) by recruiting feature of xacins to bring DNA Gyrase B inhibitory capability. This is significant for preventing further bacterial injections in the tuberculosis treatment. The most potent compound Cy14 suggested comparable bioactivity (IC50=3.18μM for Mtb InhA; IC50=10nM for DNA Gyrase B) with positive controls. Structure–activity relationship discussion and molecular docking model revealed the significance of rhodanine moiety and derived methoxyl on meta-position, pointing out orientations for future modification.

Highly efficient one-pot synthesis, antimicrobial and docking studies of newer β-amino carbonyl derivatives catalyzed by silica sulfuric acid

Mannich reaction was applied between 4-fluorobezaldehyde, selected acetophenone and several anilines, catalyzed by silica sulfuric acid for the synthesis of β-amino carbonyl derivatives. Reaction time and yield of the products depended on the nature of ac

Green synthesis of 5-benzylidene rhodanine derivatives catalyzed by 1-butyl-3-methyl imidazolium hydroxide in water

A basic functionalized ionic liquid, 1-butyl-3-methyl imidazolium hydroxide ([bmim][OH]), catalyzed the Knoevenagel condensation of rhodanine with aromatic aldehydes. It proceeded smoothly in water to afford the 5-benzylidene rhodamine derivatives in high yields at room temperature. This new method offers several advantages, such as excellent yields, short reaction times, and simple procedure. The catalyst can be reused at least 5 times without significant loss of activity.