160599-93-9

Basic information

• Product Name: 1,3-Benzodioxole, 5-(fluoromethyl)-
• Synonyms: 1,3-Benzodioxole, 5-(fluoromethyl)-
• CAS NO: 160599-93-9
• Molecular Formula: C8H7FO2
• Molecular Weight: 154.14
• Mol File: 160599-93-9.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 223.3±30.0 °C(Predicted)
• Appearance: /
• Density: 1.259±0.06 g/cm3(Predicted)
• CAS DataBase Reference: 1,3-Benzodioxole, 5-(fluoromethyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Benzodioxole, 5-(fluoromethyl)-(160599-93-9)
• EPA Substance Registry System: 1,3-Benzodioxole, 5-(fluoromethyl)-(160599-93-9)

Safety Data

• Hazardous Substances Data: 160599-93-9(Hazardous Substances Data)

Usage

Chemical structure

Benzene ring fused with a 1,3-dioxole ring

Explanation

Different sources of media describe the Explanation of 160599-93-9 differently. You can refer to the following data:
1. The compound consists of a benzene ring (a six-membered ring with alternating single and double bonds) fused to a 1,3-dioxole ring (a five-membered ring with two oxygen atoms and one carbon-carbon double bond).
2. The fluoromethyl group (a carbon atom bonded to a hydrogen atom and a fluorine atom) is attached to the 5th position of the benzene ring, which is one of the carbon atoms in the ring.
3. An organic compound is a chemical compound that primarily consists of carbon and hydrogen atoms, often with other elements such as oxygen, nitrogen, or halogens.
4. The compound serves as a building block or precursor in the production of various pharmaceuticals, contributing to the development of new medications and drugs.
5. The compound is also utilized in the creation of chemicals used in agriculture, such as pesticides, herbicides, and fertilizers.
6. The compound can be used as a starting material to create other specialized chemicals with specific properties and applications.
7. The presence of the fluoromethyl group in the compound allows for the introduction of fluorine atoms into other organic molecules, which can improve their properties and performance in various applications.
8. The compound may be employed in research and development efforts to create novel pharmaceuticals and chemical products with enhanced properties and applications.

Fluoromethyl group

Attached at the 5th position

Organic compound

Contains carbon and hydrogen atoms

Pharmaceutical industry

Used as an intermediate in the synthesis of medications and drugs

Agrochemicals

Used in the production of agrochemicals

Building block

Used in the synthesis of other specialty chemicals

Fluorine introduction

Useful for introducing fluorine atoms into other organic compounds

Research and development

Potential uses in the development of new pharmaceuticals and chemical products

Upstream product

• 495-76-1 piperonol 
• 94839-07-3 3,4-(methylenedioxy)-benzeneboronic acid 
• 2861-28-1 1,3-benzodioxole-5-acetic acid 
• 20850-43-5 5-(chloromethyl)-1,3-benzodioxole 
• 94838-82-1 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzodioxole 
• 373-53-5 fluoroiodomethane 

Relevant articles and documents

Nucleophilic (Radio)Fluorination of Redox-Active Esters via Radical-Polar Crossover Enabled by Photoredox Catalysis

We report a redox-neutral method for nucleophilic fluorination of N-hydroxyphthalimide esters using an Ir photocatalyst under visible light irradiation. The method provides access to a broad range of aliphatic fluorides, including primary, secondary, and tertiary benzylic fluorides as well as unactivated tertiary fluorides, that are typically inaccessible by nucleophilic fluorination due to competing elimination. In addition, we show that the decarboxylative fluorination conditions are readily adapted to radiofluorination with [18F]KF. We propose that the reactions proceed by two electron transfers between the Ir catalyst and redox-active ester substrate to afford a carbocation intermediate that undergoes subsequent trapping by fluoride. Examples of trapping with O- and C-centered nucleophiles and deoxyfluorination via N-hydroxyphthalimidoyl oxalates are also presented, suggesting that this approach may offer a general blueprint for affecting redox-neutral SN1 substitutions under mild conditions.

Fluorination reagent and deoxygenation fluorination method

In order to overcome the problems of high cost and poor stability of the existing deoxidation fluorination reagent, the invention provides a fluorination reagent. The fluorination reagent comprises acation M and an anion, and the anion is selected from one or more of the following perfluoropolyether chain carboxylic acid anions: CF3 (OCF2) nCO2, and n is selected from 1-10. Meanwhile, the invention further discloses a deoxidation fluorination method. The fluorination reagent provided by the invention has the advantages that the materials are easy to obtain, the fluorination products can beobtained at higher yield for various alcohol substrates, and the universality for different alcohol substrates is better.

Palladium-Catalyzed Monofluoromethylation of Arylboronic Esters with Fluoromethyl Iodide

The first palladium-catalyzed direct monofluoromethylation of arylboronic esters to produce monofluoromethyl arenes is reported. The reaction is typically carried out at room temperature within 4 h and has a good functional group tolerance. The monofluoromethylating agent, CH2FI, was readily prepared via a halogen-exchange process.