749917-24-6

Basic information

• Product Name: 2-(3-fluoro-4-iodophenyl)-2-methylmalonic acid diethyl ester
• Synonyms: 2-(3-fluoro-4-iodophenyl)-2-methylmalonic acid diethyl ester
• CAS NO: 749917-24-6
• Molecular Weight: 394.182
• Mol File: 749917-24-6.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 2-(3-fluoro-4-iodophenyl)-2-methylmalonic acid diethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(3-fluoro-4-iodophenyl)-2-methylmalonic acid diethyl ester(749917-24-6)
• EPA Substance Registry System: 2-(3-fluoro-4-iodophenyl)-2-methylmalonic acid diethyl ester(749917-24-6)

Safety Data

• Hazardous Substances Data: 749917-24-6(Hazardous Substances Data)

Usage

Molecular Weight

334.32 g/mol The molecular weight of the compound is 334.32 g/mol, calculated based on the atomic weights of the constituent elements.

Appearance

Colorless liquid 2-(3-fluoro-4-iodophenyl)-2-methylmalonic acid diethyl ester is a colorless liquid at room temperature.

Solubility

Insoluble in water, soluble in organic solvents The compound is insoluble in water but soluble in organic solvents such as ethanol, methanol, and acetone.

Functional Groups

Phenyl, fluorine, iodine, methyl, and malonic acid diethyl ester The compound contains a phenyl ring with fluorine and iodine atoms attached, a methyl group, and a malonic acid diethyl ester moiety.

Use

Building block in organic synthesis 2-(3-fluoro-4-iodophenyl)-2-methylmalonic acid diethyl ester is commonly used as a building block in organic synthesis, particularly in the preparation of pharmaceuticals and other biologically active compounds.

Reactivity

Reacts with nucleophiles and electrophiles The compound can undergo various chemical reactions due to the presence of reactive functional groups such as the phenyl ring, fluorine, and iodine atoms. It can react with nucleophiles and electrophiles to form new bonds and produce a wide range of organic compounds.

Upstream product

• 609-08-5 Diethyl methylmalonate 
• 78543-06-3 diethyl 2-(3-fluoro-4-nitrophenyl)-2-methyl-malonate 
• 78543-08-5 2-(4-amino-3-fluorophenyl)-2-methylmalonic acid diethyl ester 
• 446-35-5 2,4-Difluoronitrobenzene 

Downstream Products

• 42771-81-3 diethyl 2-(2-fluorobiphenyl-4-yl)-2-methylmalonate 
• 5104-49-4 fluorobiprofen 
• 52807-12-2 2-(2-fluoro-4'-hydroxy-biphenyl-4-yl)-propionic acid 
• 749917-25-7 2-(3-fluoro-4-iodophenyl)propionic acid 

Relevant articles and documents

Inhibitor for AKR1C3 or pharmaceutically acceptable salt of inhibitor as well as preparation method and application of inhibitor or pharmaceutically acceptable salt

The invention discloses an inhibitor for AKR1C3 or a pharmaceutically acceptable salt of the inhibitor as well as a preparation method and application of the inhibitor or the pharmaceutically acceptable salt. Non-steroidal anti-inflammatory drug flurbiprofen is used as a lead compound for structural optimization. The invention discloses the biphenyl-based AKR1C3 inhibitor represented by a formula(I) shown in the specification and the preparation method of the inhibitor. Target activity tests prove that the compounds provided by the invention can significantly inhibit activity of AKR1C3, and can be further used for development of a drug for treating and/or preventing diseases by inhibiting the aldo-keto reductase AKR1C3; and a molecular basis is laid for drug resistance-related mechanisticstudy of tumors.

Synthesis and biological activity of flurbiprofen analogues as selective inhibitors of β-amyloid1-42 secretion

Flurbiprofen, a nonsteroidal antiinflammatory drug (NSAID), has been recently described to selectively inhibit β-amyloid1-42 (Aβ42) secretion, the most toxic component of the senile plaques present in the brain of Alzheimer patients. The use of this NSAID in Alzheimer's disease (AD) is hampered by a significant gastrointestinal toxicity associated with cyclooxygenase (COX) inhibition. New flurbiprofen analogues were synthesized, with the aim of increasing Aβ42 inhibitory potency while removing anti-COX activity. In vitro ADME developability parameters were taken into account in order to identify optimized compounds at an early stage of the project. Appropriate substitution patterns at the alpha position of flurbiprofen allowed for the complete removal of anti-COX activity, while modifications at the terminal phenyl ring resulted in increased inhibitory potency on Aβ42 secretion. In rats, some of the compounds appeared to be well absorbed after oral administration and to penetrate into the central nervous system. Studies in a transgenic mice model of AD showed that selected compounds significantly decreased plasma Aβ42 concentrations. These new flurbiprofen analogues represent potential drug candidates to be developed for the treatment of AD.