779-81-7

Basic information

• Product Name: 3-(3-METHOXY-PHENYL)-3-OXO-PROPIONIC ACID METHYL ESTER
• Synonyms: METHYL 3-(3-METHOXYPHENYL)-3-OXOPROPIONATE;3-(3-METHOXY-PHENYL)-3-OXO-PROPIONIC ACID METHYL ESTER;Methyl 3-(3-Methoxyphenyl)-3-oxopropanoate
• CAS NO: 779-81-7
• Molecular Formula: C₁₁H₁₂O₄
• Molecular Weight: 208.21
• Mol File: 779-81-7.mol
• Article Data: 12

Chemical Properties

• Boiling Point: 120°C/0.23mm
• Flash Point: 124.5°C
• Appearance: /
• Density: 1.147g/cm³
• Vapor Pressure: 0.00213mmHg at 25°C
• Refractive Index: 1.506
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 10.26±0.46(Predicted)
• CAS DataBase Reference: 3-(3-METHOXY-PHENYL)-3-OXO-PROPIONIC ACID METHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(3-METHOXY-PHENYL)-3-OXO-PROPIONIC ACID METHYL ESTER(779-81-7)
• EPA Substance Registry System: 3-(3-METHOXY-PHENYL)-3-OXO-PROPIONIC ACID METHYL ESTER(779-81-7)

Safety Data

• Hazardous Substances Data: 779-81-7(Hazardous Substances Data)

Usage

General Description

3-(3-Methoxy-phenyl)-3-oxo-propionic acid methyl ester is a chemical compound with the molecular formula C11H12O4. It is also known by the name Vanillin propionate and is commonly used in the field of organic synthesis. 3-(3-METHOXY-PHENYL)-3-OXO-PROPIONIC ACID METHYL ESTER is a derivative of vanillin, which is a key component of vanilla extract and is commonly used as a flavoring agent. 3-(3-Methoxy-phenyl)-3-oxo-propionic acid methyl ester has various industrial applications, including its use as a fragrance and flavoring agent in cosmetic and food products. It is also used in the synthesis of pharmaceuticals and other chemical compounds.

InChI:InChI=1/C11H12O4/c1-14-9-5-3-4-8(6-9)10(12)7-11(13)15-2/h3-6H,7H2,1-2H3

Upstream product

• 586-38-9 3-Methoxybenzoic acid 
• 57570-85-1 lithium enolate of methyl acetate 
• 1711-05-3 m-anisoyl chloride 
• 616-38-6 carbonic acid dimethyl ester 
• 586-37-8 1-(3-Methoxyphenyl)ethanone 
• 105-45-3 acetoacetic acid methyl ester 
• 79-20-9 acetic acid methyl ester 
• 5368-81-0 methyl 3-methoxybenzoate 

Downstream Products

• 586-37-8 1-(3-Methoxyphenyl)ethanone 
• 1372793-73-1 trans-methyl 3-(methoxyimino)-3-(3-methoxyphenyl)propanoate 
• 1353036-82-4 3-(3-methoxyphenyl)-4-(5-chlorothienylmethylene)isoxazol-5(4H)-one 

Relevant articles and documents

Chiral Vanadyl(V) Complexes Enable Efficient Asymmetric Reduction of β-Ketoamides: Application toward (S)-Duloxetine

High-valent chiral oxidovanadium(V) complexes derived from 3,5-substituted-N-salicylidene-l-tert-leucine were used as catalysts in asymmetric reduction of N-benzyl-β-ketoamides. Among six different solvents, three different alcohol additives, and two different boranes examined, the use of pinacolborane in tetrahydrofuran (THF) with a t-BuOH additive led to the best results at -20 °C. The corresponding β-hydroxyamides can be furnished with yields up to 92percent and an enantiomeric excess (ee) up to 99percent. We have successfully extended this catalytic protocol for the synthesis of an (S)-duloxetine precursor.

PhIO/Et3N ? 3HF-Mediated Formation of Fluorinated 2H-Azirines via Domino Fluorination/Azirination Reaction of Enamines

A variety of enamine carboxylic esters and enaminones were converted to the biologically interesting fluorinated 2H-azirines through reactions with PhIF2 generated in situ by PhIO and Et3N ? 3HF in 1,2-dichroloethane, which features the hypervalent iodine reagents-mediated introduction of fluorine atom and formation of the 2H-azirine skeleton under metal-free conditions. The domino reaction is postulated to proceed via a PhIF2-mediated oxidative fluorination and a subsequent azirination of the fluorinated enamine intermediates. (Figure presented.).

Catalytic Asymmetric Nazarov Cyclization of Heteroaryl Vinyl Ketones through a Crystallographically Defined Chiral Dinuclear Nickel Complex

A Ni(NTf2)2 and tetradentate bisimino-bisquinoline ligand complex catalyzed the enantioselective Nazarov cyclization of heteroaryl vinyl ketones. An X-ray-quality crystal was obtained from a mixture of the Ni complex and the substrat