459-49-4

Basic information

• Product Name: 1-BroMo-4-(fluoroMethyl)-benzene
• Synonyms: 1-BroMo-4-(fluoroMethyl)-benzene;1-Bromo-4-(Fluoromethyl)Benzene(WX630205)
• CAS NO: 459-49-4
• Molecular Formula: C₇H₆BrF
• Molecular Weight: 189.0249432
• Mol File: 459-49-4.mol
• Article Data: 19

Chemical Properties

• Melting Point: 32.9-33.2 °C
• Boiling Point: 80-81.5 °C(Press: 10-11 Torr)
• Appearance: /
• Density: 1.483±0.06 g/cm3(Predicted)
• CAS DataBase Reference: 1-BroMo-4-(fluoroMethyl)-benzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-BroMo-4-(fluoroMethyl)-benzene(459-49-4)
• EPA Substance Registry System: 1-BroMo-4-(fluoroMethyl)-benzene(459-49-4)

Safety Data

• Hazardous Substances Data: 459-49-4(Hazardous Substances Data)

Usage

Physical state

Colorless liquid

Odor

Sweet, fruity

Uses

Intermediate in the production of pharmaceuticals and agrochemicals

Synthesis

Building block in the synthesis of various organic molecules

Chemical reactions

Halogenation, nitration, and Suzuki-Miyaura coupling

Safety

Harmful if swallowed or inhaled

Skin and eye contact

Can cause irritation

Aquatic life

Toxic to aquatic life

Handling and disposal

Proper precautions should be taken

Upstream product

• 106-38-7 para-bromotoluene 
• 133745-75-2 N-fluorobis(benzenesulfon)imide 
• 5467-74-3 4-Bromophenylboronic acid 
• 1620006-30-5 tetramethylammonium 1,1,2,2,3,3,3-heptafluoropropoxide 
• 589-15-1 1-bromomethyl-4-bromobenzene 
• 19350-68-6 p-bromobenzaldehyde tosylhydrazone 
• 873-75-6 4-bromobenzenemethanol 

Downstream Products

• 2116-36-1 1-benzyl-4-bromo-benzene 
• 237763-11-0 methanesulfonic acid 4-bromo-benzyl ester 
• 61692-92-0 1-p-Bromphenyl-3-p-tolylpropin-3 
• 1427555-68-7 1-[4-(fluoromethyl)phenyl]-3-(oxan-4-yl)-1H-pyrazolo[3,4-c]pyridine 
• 101658-17-7 N-(4-bromobenzyl)-N-methylbenzenamine 
• 178162-69-1 1-(4-bromobenzyl)piperidine 
• 132833-51-3 4-[(4-bromophenyl)methyl]morpholine 
• 125486-45-5 9-(4-Fluoro-benzyl)-6-(furan-2-ylmethoxy)-9H-purine 
• 125486-46-6 9-(4-Fluoro-benzyl)-6-(pyridin-3-ylmethoxy)-9H-purine 
• 125486-44-4 6-Benzyloxy-9-(4-fluoro-benzyl)-9H-purine 
• 112088-75-2 6-chloro-9-(4-fluorobenzyl)purine 

Relevant articles and documents

PROCESSES FOR FLUORINATION

The present technology relates to fluorination reactions. Specifically, processes useful for making the fungicide compound, DFT are disclosed. More broadly, also disclosed herein are processes useful for deoxyfluorination at the α-aromatic position of a given compound.

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.

Thiourea-Catalyzed C?F Bond Activation: Amination of Benzylic Fluorides

We describe the first thiourea-catalyzed C?F bond activation. The use of a thiourea catalyst and Ti(OiPr)4 as a fluoride scavenger allows the amination of benzylic fluorides to proceed in moderate to excellent yields. Preliminary results with S- and O-based nucleophiles are also presented. DFT calculations reveal the importance of hydrogen bonds between the catalyst and the fluorine atom of the substrate to lower the activation energy during the transition state.