26393-91-9

Basic information

• Product Name: 1-(4-FLUOROPHENYL)-2-METHYLPROPAN-1-ONE
• Synonyms: 1-(4-FLUOROPHENYL)-2-METHYLPROPAN-1-ONE;1-(4-FLUOROPHENYL)-2-METHYLPROPAN-1-ONE 95%;4'-Fluoroisobutyrophenone, 97%;1-Propanone, 1-(4-fluorophenyl)-2-Methyl-;1-(4-Fluorophenyl)-2-methylpropan-1-one, 1-(4-Fluorophenyl)-2-methyl-1-oxopropane, 4'-Fluoroisobutyrophenone;4'-Fluoro-2-methylpropiophenone;1-(4-Fluorophenyl)-2-methyl-1-propanone
• CAS NO: 26393-91-9
• Molecular Formula: C₁₀H₁₁FO
• Molecular Weight: 166.19
• Mol File: 26393-91-9.mol
• Article Data: 21

Chemical Properties

• Boiling Point: 95-97/7mm
• Appearance: /
• Density: 1.048±0.06 g/cm3(Predicted)
• Refractive Index: 1.4980
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 1-(4-FLUOROPHENYL)-2-METHYLPROPAN-1-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-FLUOROPHENYL)-2-METHYLPROPAN-1-ONE(26393-91-9)
• EPA Substance Registry System: 1-(4-FLUOROPHENYL)-2-METHYLPROPAN-1-ONE(26393-91-9)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 22
• HazardClass: IRRITANT
• Hazardous Substances Data: 26393-91-9(Hazardous Substances Data)

Usage

General Description

1-(4-Fluorophenyl)-2-methylpropan-1-one is a chemical compound with the molecular formula C10H11FO. It is a ketone that is commonly used in the production of pharmaceuticals and agrochemicals. 1-(4-FLUOROPHENYL)-2-METHYLPROPAN-1-ONE is also used in the synthesis of other organic compounds and has potential applications in the development of new drugs. It is a clear, colorless liquid with a faint odor, and it has a boiling point of 192-195 °C. This chemical is considered to be relatively stable and is not considered to be a significant hazard to human health or the environment when handled and used properly. However, it is still important to follow proper safety precautions when working with this compound.

Upstream product

• 456-03-1 1-(4-fluorophenyl)propan-1-one 
• 74-88-4 methyl iodide 
• 1194-02-1 4-fluorobenzonitrile 
• 920-39-8 isopropylmagnesium bromide 
• 78-82-0 Isobutyronitrile 
• 67-56-1 methanol 
• 1068-55-9 isopropylmagnesium chloride 
• 403-43-0 4-fluorobenzoyl chloride 
• 2251-76-5 2-(4-fluorophenyl)-2-oxoacetic acid 
• 78-84-2 isobutyraldehyde 
• 116332-54-8 4-fluoro-N-methoxy-N-methylbenzamide 
• 456-22-4 4-Fluorobenzoic acid 
• 2403-57-8 1-(2-methylprop-1-en-1-yl)pyrrolidine 
• 70001-45-5 4-fluoro-N-isopropylbenzamide 

Downstream Products

• 26393-89-5 4-Fluor-isobutyrophenon-N',N',N'-trimethyl-hydrazonium 
• 1001319-04-5 C₁₁H₁₅F 
• 1364975-40-5 C₁₁H₁₅F 
• 28115-05-1 C₁₁H₁₃F 
• 53207-35-5 3-Dimethylamino-1-(4-fluoro-phenyl)-2,2-dimethyl-propan-1-one 
• 58472-44-9 1-(p-fluorophenyl)-2-bromo-2-methyl-propan-1-one 
• 1377585-50-6 4-fluoro-N-(methyl(oxo)(phenyl)-λ⁶-sulfanylidene)benzamide 

Relevant articles and documents

Experimental and Computational Studies of Palladium-Catalyzed Spirocyclization via a Narasaka-Heck/C(sp3or sp2)-H Activation Cascade Reaction

The first synthesis of highly strained spirocyclobutane-pyrrolines via a palladium-catalyzed tandem Narasaka-Heck/C(sp3 or sp2)-H activation reaction is reported here. The key step in this transformation is the activation of a δ-C-H bond via an in situ generated σ-alkyl-Pd(II) species to form a five-membered spiro-palladacycle intermediate. The concerted metalation-deprotonation (CMD) process, rate-determining step, and energy barrier of the entire reaction were explored by density functional theory (DFT) calculations. Moreover, a series of control experiments was conducted to probe the rate-determining step and reversibility of the C(sp3)-H activation step.

Method for preparing aryl ketone based on iron-catalyzed free radical-free radical coupling reaction such as ketonic acid decarboxylation and fatty aldehyde de-carbonylation

The invention discloses a method for preparing an aryl ketone derivative based on a free radical-free radical cross-coupling reaction such as ketonic acid decarboxylation and fatty aldehyde de-carbonylation. The method comprises the following steps: reacting aryl-substituted ketonic acid with fatty aldehyde under the catalytic action of ferric triacetylacetonate to generate an aryl ketone derivative; the gram-grade reaction can be realized by the method only by using 3mol% of an iron catalyst; and the method has the advantages of no need of consumption of a large amount of a Lewis acid catalyst or a stoichiometric organic metal reagent, mild reaction conditions, one-step reaction, few by-products, wide substrate application range and scalable reaction, and overcomes the defects of large catalyst consumption, insufficient functional group tolerance, many by-products and the like in the prior art.

TOLPERISONE ANALOGS AND METHODS OF USE

The present invention is, in part, directed to tolperisone analogs (e.g., compounds of formula (I), (I-a), (I-b), (II), (Il-a), (III), (Ill-a), (ΙΙΙ-b), (III-c), (IV), (IV-a), (V), or (V-a)) and methods of use thereof for the treatment of various conditions including elevated muscle tone and tension (e.g., spasticity, muscle spasm). In one aspect, the tolperisone analogs disclosed herein have an additional substituent at the α-position, which blocks the generation of a β- elimination product.