185302-86-7

Basic information

• Product Name: 3-(2-FLUORO-PHENYL)-3-OXO-PROPIONIC ACID METHYL ESTER
• Synonyms: 3-(2-FLUORO-PHENYL)-3-OXO-PROPIONIC ACID METHYL ESTER;2-FLUORO-BETA-OXO-BENZENEPROPANOIC ACID METHYL ESTER;METHYL 2-FLUOROBENZOYLACETATE;2-Fluoro-b-oxo-benzenepropanoic acid Methyl ester
• CAS NO: 185302-86-7
• Molecular Formula: C₁₀H₉FO₃
• Molecular Weight: 196.18
• Mol File: 185302-86-7.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 3-(2-FLUORO-PHENYL)-3-OXO-PROPIONIC ACID METHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(2-FLUORO-PHENYL)-3-OXO-PROPIONIC ACID METHYL ESTER(185302-86-7)
• EPA Substance Registry System: 3-(2-FLUORO-PHENYL)-3-OXO-PROPIONIC ACID METHYL ESTER(185302-86-7)

Safety Data

• Hazardous Substances Data: 185302-86-7(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
3-(2-Fluoro-phenyl)-3-oxo-propionic acid methyl ester is utilized as an intermediate in the synthesis of various pharmaceuticals. Its unique structure allows for the development of new drugs with potential therapeutic applications, making it a valuable component in medicinal chemistry.
Used in Agrochemical Industry:
In the agrochemical sector, 3-(2-Fluoro-phenyl)-3-oxo-propionic acid methyl ester serves as a key intermediate for the production of agrochemicals. Its incorporation into these products can contribute to the development of more effective and targeted pest control solutions.
Used in Fine Chemicals Production:
3-(2-Fluoro-phenyl)-3-oxo-propionic acid methyl ester is also employed in the synthesis of fine chemicals, which are high-purity chemicals used in various specialized applications. Its versatility in synthesis makes it an essential component in creating high-quality specialty products.
Used in Organic Compounds Synthesis:
Due to its reactivity and structural features, 3-(2-Fluoro-phenyl)-3-oxo-propionic acid methyl ester is used as a building block in the synthesis of other organic compounds. This allows for the creation of a wide array of chemical entities for research and industrial applications.

Upstream product

• 445-27-2 2'-Fluoroacetophenone 
• 616-38-6 carbonic acid dimethyl ester 
• 105-45-3 acetoacetic acid methyl ester 
• 393-52-2 2-Fluorobenzoyl chloride 
• 38330-80-2 monomethyl monopotassium malonate 
• 445-29-4 o-fluoro-benzoic acid 

Downstream Products

• 71347-68-7 2-(2-fluorophenyl)-2-oxoacetaldehyde oxime 
• 21742-05-2 3-amino-4-(2-fluorophenyl)furazan 
• 1439356-84-9 methyl 1-methyl-4-oxo-2-phenyl-1,4-dihydroquinoline-3-carboxylate 
• 1211944-10-3 7-hydroxy-4-(2-fluoro-phenyl)-2H-1-benzopyran-2-one 
• 1170144-71-4 C₁₅H₁₅FO₃ 
• 1242162-69-1 methyl 2-(2-fluorobenzoyl)pent-4-ynoate 

Relevant articles and documents

Synthesis of 4-(2-fluorophenyl)-7-methoxycoumarin: Experimental and computational evidence for intramolecular and intermolecular C-F?H-C bonds

4-(2-Fluorophenyl)-7-methoxycoumarin (6) was synthesized by Pechmann reaction under mild conditions via a three-step reaction. The solution-state 1H NMR spectra of 6 showed a strong intramolecular interaction between F and H5 (JFH = 2.6 Hz) and 13C NMR suggested that this C-F?H-C coupling is a through-space interaction. The 2D 19F-{1H} HOESY and 1H-{19F} 1D experiments were done to confirm this F?H interaction. The single crystal X-ray structure and the DFT-optimized structure showed that the fluorinated phenyl ring favors the orientation with the fluorine atom closer to H5 than H3. The X-ray structure also showed the existence of the intermolecular C-F?H-C interaction.

Iron-catalysed 1,2-acyl migration of tertiary α-azido ketones and 2-azido-1,3-dicarbonyl compounds

Iron-catalysed 1,2-acyl migration of tertiary α-azido ketones and 2-azido-1,3-dicarbonyl compounds provides a simple and atom-economical approach toward enamides and isoquinolones. This paper reports two catalyst systems for these transformations which employ iron(ii) complexes [Fe(dpbz)]Br2 (dpbz = 1,2-bis(diphenylphosphino)benzene) and FeBr2/Et3N, respectively. [Fe(dpbz)]Br2 was found to be highly effective at converting 2-azido-2,3-dihydro-1H-inden-1-ones to isoquinolones. The reagent combination of FeBr2/Et3N, on the other hand, exhibited a broader catalytic scope, owing to the beneficial effect of Et3N. This latter catalyst system enables 2-azido-2-methyl-1,3-dicarbonyl compounds to be converted to the corresponding enamides under mild conditions in good yields.

Transition metal-free one-pot synthesis of 2-substituted 3-carboxy-4-quinolone and chromone derivatives

A novel one-pot synthesis of the 2-substituted 3-carboxy-4-quinolone/ chromone derivatives from readily available 3-oxo-3-arylpropanoates and amides/acyl chlorides is reported, without any transition metal aid. The Royal Society of Chemistry 2013.

PYRROLOPYRIDINE THERAPEUTIC COMPOUNDS

The present invention relates to pyrrolopyridine compounds of Formula (I) wherein Ar, Ar1 and R1 are defined herein, and pharmaceutically acceptable salts thereof; pharmaceutical compositions comprising them, and their use for the treatment and prevention of infection by hepatitis C virus.

Baccatin derivatives and a process for producing the same

The object of the invention is to develop baccatin derivatives useful for preparing taxoid compounds such as paclitaxel and a process for the producing the same. The invention provides baccatin derivatives represented by the general formula (I) as well as a process for producing baccatin derivatives represented by the general formula (I) above, which comprises allowing a baccatin represented by the general formula (II) to react with a β-ketoester in the absence of a catalyst or in the presence of a tin compound or an amine base, preferably under reduced pressure.