5894-79-1

Basic information

• Product Name: METHYL A-FORMYLPHENYLACETATE
• Synonyms: METHYL A-FORMYLPHENYLACETATE;methyl formylphenylacetate;2-Phenyl-3-oxopropionic acid methyl ester;α-Formylbenzeneacetic acid methyl ester;3-keto-2-phenyl-propionic acid methyl ester;methyl 3-oxo-2-phenylpropanoate;methyl 3-oxo-2-phenyl-propanoate;α-forMyl acid Methyl ester
• CAS NO: 5894-79-1
• Molecular Formula: C₁₀H₁₀O₃
• Molecular Weight: 178.18
• EINECS: 227-577-3
• Mol File: 5894-79-1.mol
• Article Data: 9

Chemical Properties

• Melting Point: 104 °C
• Boiling Point: 262.3 °C at 760 mmHg
• Flash Point: 111.1 °C
• Appearance: /
• Density: 1.136 g/cm³
• Vapor Pressure: 0.011mmHg at 25°C
• Refractive Index: 1.511
• PKA: 6.84±0.29(Predicted)
• CAS DataBase Reference: METHYL A-FORMYLPHENYLACETATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL A-FORMYLPHENYLACETATE(5894-79-1)
• EPA Substance Registry System: METHYL A-FORMYLPHENYLACETATE(5894-79-1)

Safety Data

• Hazardous Substances Data: 5894-79-1(Hazardous Substances Data)

Usage

General Description

Methyl A-formylphenylacetate is a chemical compound with the molecular formula C11H12O3. It is an ester, which means it is derived from the reaction between an alcohol and a carboxylic acid. This particular ester is made from the combination of methyl alcohol and A-formylphenylacetic acid. It has a sweet, fruity odor and is often used in the fragrance and flavor industries as a component of perfumes and essential oils. Methyl A-formylphenylacetate is also used as a flavoring agent in food products and as a fragrance in household products. It is considered to be a safe compound for use in these applications when used in accordance with regulatory guidelines.

InChI:InChI=1/C10H10O3/c1-13-10(12)9(7-11)8-5-3-2-4-6-8/h2-7,9H,1H3

Upstream product

• 141-78-6 ethyl acetate 
• 101-41-7 benzeneacetic acid methyl ester 
• 109-94-4 formic acid ethyl ester 
• 127218-69-3 3-cyano-3-dimethylamino-2-phenylpropionic acid methyl ester 
• 107635-11-0 methyl α-(N-methylamino)phenylacetate 
• 29810-10-4 methyl α-(N,N-dimethylamino)phenylacetate 
• 1358418-45-7 methyl α-(N-cyanomethyl-N-methylamino)phenylacetate 
• 1358418-57-1 N-cyanomethyl-N,N-dimethyl-N-(α-methoxycarbonylbenzyl)ammonium trifluoromethanesulfonate 
• 1358418-55-9 N-cyanomethyl-N,N-dimethyl-N-(α-methoxycarbonylbenzyl)ammonium methylsulfate 
• 1358418-50-4 N-cyanomethyl-N,N-dimethyl-N-(α-methoxycarbonylbenzyl)ammonium bromide 
• 37167-62-7 bromo-phenyl-acetic acid methyl ester 
• 98393-28-3 methyl R-α-phenylglycidate 
• 75-05-8 acetonitrile 
• 107-31-3 Methyl formate 

Downstream Products

• 3967-53-1 methyl tropate 
• 33201-81-9 (E)-3-(3-Methyl-thioureido)-2-phenyl-acrylic acid methyl ester 
• 22226-37-5 α-formyl phenyl acetic acid tropine ester 
• 5908-99-6 atropine sulphate monohydrate 
• 51-55-8 Atropine 
• 1349862-46-9 methyl 3-{4-[3-(4-chlorophenyl)-1-(pyrimidin-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl}-2-phenylpropanoate 
• 1188274-63-6 methyl (Z)-2-phenyl-3-(p-toluenesulfonyloxy)prop-2-enoate 
• 1188274-62-5 methyl (E)-2-phenyl-3-(p-toluenesulfonyloxy)prop-2-enoate 
• 1865-29-8 2-phenyl-acrylic acid methyl ester 
• 1570-95-2 2-phenylpropane-1, 3-diol 
• 529-64-6 Tropic acid 

Relevant articles and documents

Insertion of Alkylidene Carbenes into B-H Bonds

We have developed a protocol for insertion of alkylidene carbenes into the B-H bonds of amine-borane adducts, enabling, for the first time, the construction of C(sp2)-B bonds by means of carbene-insertion reactions. Various acyclic and cyclic alkenyl borane-amine adducts were prepared from readily accessible starting materials in good to high yields and were subsequently subjected to a diverse array of functional group transformations. The unprecedented spiro B-N heterocycles prepared in this study have potential utility as building blocks for the synthesis of pharmaceuticals. Preliminary mechanistic studies suggest that insertion of the alkylidene carbenes into the B-H bonds of the amine-borane adducts proceeds via a concerted process involving a three-membered-ring transition state.

A new method for preparing ipratropine (by machine translation)

The invention discloses a ipratropine preparation method, comprises the following steps: benzene acetic acid methyl ester (III) as the starting material, the reaction process for preparing substituted α - formyl benzene acetic acid methyl ester (IV); tropine is mellow with methyl bromide reaction to prepare the compound (II); compound (II) with a compound (IV) reaction of compounds (V), compound (V) reduction process of preparing ipratropine anhydride, through the refining preparation ipratropine (VII), the method is simple in operation, high safety, low cost, is more suitable for industrial production. (by machine translation)

Diastereospecific nazarov cyclization of fully substituted dienones: Generation of vicinal all-carbon-atom quaternary stereocenters

No vacancy: Fully substituted dienones that are highly polarized by a vinylogous carbonate group were found to undergo a remarkably rapid and diastereospecific Nazarov cyclization that led to cyclopentenones with vicinal all-carbon-atom quaternary centers (see example; SEM=2-(trimethylsilyl) ethoxymethyl, Tf=trifluoromethanesulfonyl). Copyright