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Propanedioic acid, phenyl-2-propenyl-, diethyl ester, also known as Diethyl 2-allyl-2-phenylmalonate, is a chemical compound that serves as an intermediate in the synthesis of various pharmaceuticals. It is characterized by its ester functional group and its ability to form a key component in the production of certain drugs.

50790-26-6

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50790-26-6 Usage

Uses

Used in Pharmaceutical Industry:
Propanedioic acid, phenyl-2-propenyl-, diethyl ester is used as an intermediate in the synthesis of Alphenal, which is a Barbituric Acid (B118650) derivative. Alphenal possesses anti-convulsive properties and is classified as a controlled substance due to its potential for misuse and dependence.
As an intermediate in the synthesis of Alphenal, Propanedioic acid, phenyl-2-propenyl-, diethyl ester plays a crucial role in the development of medications aimed at treating convulsive disorders and other related conditions. Its involvement in the production of a controlled substance highlights the importance of its regulated use and the need for careful monitoring in the pharmaceutical industry.

Check Digit Verification of cas no

The CAS Registry Mumber 50790-26-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,0,7,9 and 0 respectively; the second part has 2 digits, 2 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 50790-26:
(7*5)+(6*0)+(5*7)+(4*9)+(3*0)+(2*2)+(1*6)=116
116 % 10 = 6
So 50790-26-6 is a valid CAS Registry Number.

50790-26-6SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name diethyl 2-phenyl-2-prop-1-enylpropanedioate

1.2 Other means of identification

Product number -
Other names diethyl allylphenylmalonate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:50790-26-6 SDS

50790-26-6Relevant academic research and scientific papers

Aryltrifluoromethylative cyclization of unactivated alkenes by the use of PhICF3Cl under catalyst-free conditions

Guo, Jia,Xu, Cong,Liu, Xiaowei,Wang, Mang

supporting information, p. 2162 - 2168 (2019/02/27)

A concise and catalyst-free aryltrifluoromethylative cyclization of unactivated alkenes has been developed herein. The use of PhICF3Cl as a powerful trifluoromethylating agent allows easy transformations. A set of trifluoroethylated carbocycles and aza-hereocycles were efficiently synthesized in good yield and selectivity. A broad substrate scope, mild reaction conditions, and easy operation would make this method well-suited for applications.

Isomerization of olefins triggered by rhodium-catalyzed C-H bond activation: Control of endocyclic β-hydrogen elimination

Yip, Stephanie Y. Y.,A?ssa, Christophe

supporting information, p. 6870 - 6873 (2015/06/02)

Five-membered metallacycles are typically reluctant to undergo endocyclic β-hydrogen elimination. The rhodium-catalyzed isomerization of 4-pentenals into 3-pentenals occurs through this elementary step and cleavage of two C-H bonds, as supported by deuterium-labeling studies. The reaction proceeds without decarbonylation, leads to trans olefins exclusively, and tolerates other olefins normally prone to isomerization. Endocyclic β-hydrogen elimination can also be controlled in an enantiodivergent reaction on a racemic mixture.

Pd-catalyzed α-allylation of 2-phenylpropanal and other carbonyl compounds with allyl alcohol and allyl acetates/carbonates in ionic liquids

Hut'Ka, Martin,Toma, Stefan

, p. 1175 - 1179 (2008/03/27)

The successful Pd-catalysed allylation of 2-phenylpropanal with allyl alcohol in ionic liquid is described and thus a simplier reaction composition catalytic system than in THF is possible. On the other hand, the Pd-catalyzed α-allylation of the same substrate with allyl acetate or allyl ethyl carbonate is proceeding nicely in ionic liquids. Allylation of different carbonyl derivatives was studied and it was found that the reaction is restricted to carbonyl derivatives from which a carbanion stabilized by an adjacent aromatic ring can be formed.

Catalytic deallylation of allyl- and diallylmalonates

Necas, David,Tursky, Matyas,Kotora, Martin

, p. 10222 - 10223 (2007/10/03)

Substituted allylmalonates undergo the selective C-C bond cleavage in the presence of triethylaluminum and a catalytic amount of nickel and ruthenium phosphine complexes, resulting in the loss of the allyl moiety and formation of monosubstituted malonates. Comparison of reactivity of the nickel and ruthenium complexes showed that the use of the former is general with respect to the structure of the substituted allylmalonates, and the activity of the latter depended on the substitution pattern of the double bond of the allylic moiety. The smooth deallylation may encourage the use of the allyl group as a protective group for the acidic hydrogen in malonates. Copyright

Insecticidal esters of substituted furan methanol

-

, (2008/06/13)

Substituted acetate compounds represented by the formula STR1 which are useful as pesticides and pesticidal composition containing the substituted acetate compounds as active ingredients, as well as processes for preparing the compounds and the compositio

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