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3-Methoxybenzylidenemalonic acid diethyl ester is an organic compound characterized by its yellow oil appearance. It is a derivative of malonic acid with an ester functional group and a methoxybenzylidene moiety attached to the benzene ring.

6771-54-6

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6771-54-6 Usage

Uses

Used in Pharmaceutical Industry:
3-Methoxybenzylidenemalonic acid diethyl ester is used as an intermediate in the synthesis of rac Enterolactone (E558950), a compound with potential pharmaceutical applications. Its role in the preparation process is crucial for the development of 3-Methoxybenzylidenemalonic acid diethyl ester, which may have therapeutic benefits.
Used in Chemical Synthesis:
As a versatile organic compound, 3-Methoxybenzylidenemalonic acid diethyl ester can be utilized in various chemical synthesis processes. Its unique structure allows it to be a valuable building block for creating a range of other organic molecules, potentially leading to new applications in different industries.

Check Digit Verification of cas no

The CAS Registry Mumber 6771-54-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,7,7 and 1 respectively; the second part has 2 digits, 5 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 6771-54:
(6*6)+(5*7)+(4*7)+(3*1)+(2*5)+(1*4)=116
116 % 10 = 6
So 6771-54-6 is a valid CAS Registry Number.

6771-54-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name diethyl 2-[(3-methoxyphenyl)methylidene]propanedioate

1.2 Other means of identification

Product number -
Other names 3-Methoxy-benzalmalonsaeure-diaethylester

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:6771-54-6 SDS

6771-54-6Relevant academic research and scientific papers

Programmed Sequential Additions to Halogenated Mucononitriles

Zahara, Adam J.,Hinds, Elsa M.,Nguyen, Andrew L.,Wilkerson-Hill, Sidney M.

supporting information, p. 8065 - 8069 (2020/11/02)

Dihalomucononitriles were synthesized and their reactivity evaluated to assess their ability to function as linchpin reagents. Bis(2-chloroacrylonitrile) and bis(2-bromoacrylonitrile) were synthesized from 2,1,3-benzothiadiazole and undergo conjugate addition/elimination reactions with both nitrogen (40-95% yield) and carbon nucleophiles (72-93% yield). Secondary amines undergo monosubstitutions, while carbon nucleophiles are added twice. The sequence of addition of the nucleophiles could be controlled to give mixed addition products. The multicomponent coupling products could then be converted to natural product like motifs using intramolecular cyclization reactions.

Co-Polymeric Nanosponges from Cellulose Biomass as Heterogeneous Catalysts for amine-catalyzed Organic Reactions

Riva, Laura,Punta, Carlo,Sacchetti, Alessandro

, p. 6214 - 6222 (2020/10/02)

Heterogeneous catalysts prepared from biomass waste sources are attracting increasing interest. The reasons rely on the possibility of combining the virtuous approach of circular economy with the consolidated advantages of heterogeneous catalysis, namely the recycling of the system and the possibility to drive selectivity towards desired products. Herein we report a highly porous cellulose-based nanosponge (CNS) and its use as a recoverable catalyst for Henry and Knoevenagel reactions, two classical amino-catalyzed transformations. The material is obtained by cross-linking between TEMPO-oxidized cellulose nanofibers (TOCNF) and branched polyethyleneimine 25 kDa (bPEI) in the presence of citric acid. CNS have been developed as sorbent materials for water remediation but their use as heterogeneous catalysts was never investigated. The fully characterized micro- and nano-porous system guarantees a complete penetration of CNS, allowing reagents to diffuse within. Indeed, by modulating reaction conditions (catalyst loading, temperature, solvent, microwave versus conventional heating, relative ratio of reagents) it was possible to drive selectivity towards the desired products, while maintaining high efficiency in terms of conversion. The catalyst could be re-used several times without losing in catalytic efficiency. In most cases the products’ distribution is quite different from homogeneous conditions, this much more emphasizing the importance of this heterogeneous solution.

Metal free biomimetic deaminative direct C-C coupling of unprotected primary amines with active methylene compounds

Ghosh, Santanu,Jana, Chandan K.

supporting information, p. 10153 - 10157 (2019/12/26)

An unprecedented direct C-C coupling reaction of unprotected primary amines with active methylene compounds is reported. The reaction involves a biomimetic deamination of amines which was achieved under conditions free of metallic reagents and strong oxidizing agents. A wide range of primary amines was reacted with different active methylene compounds to provide structurally diverse trisubstituted alkenes and dihydropyridines. A kinetic study revealed an activation barrier of 10.1 kcal mol-1 for the conversion of a key intermediate of the reaction.

Unnatural α-amino ethyl esters from diethyl malonate or ethyl β-bromo-α-hydroxyiminocarboxylate

Coutant, Eloi P.,Hervin, Vincent,Gagnot, Glwadys,Ford, Candice,Baatallah, Racha,Janin, Yves L.

supporting information, p. 2853 - 2860 (2018/11/26)

We have explored here the scope of the age-old diethyl malonate-based accesses to α-amino esters involving Knoevenagel condensations of diethyl malonate on aldehydes, reductions of the resulting alkylidenemalonates, the preparation of the corresponding α-hydroxyimino esters and their final reduction. This synthetic pathway turned out to be general although some unexpected limitations were encountered. The synthetic modifications of some of the intermediates - using Suzuki-Miyaura coupling or cycloadditions - before undertaking the oximation step - provided accesses to further α-amino esters. Moreover, other pathways to α-hydroxyimino esters were explored including an attempt to improve the cycloadditions between ethyl β-bromo-α-hydroxyiminocarboxylate and various alkylfuranes.

Lipase-Catalysed Addition of Pyrrolidine to Chalcone and Benzylidene Malonate Derivatives

Habibi,Yousefi,Kheyrabadi,Mohammadi,Moemeni,Nazari

, p. 861 - 864 (2015/12/26)

The porcine pancreas lipase (PPL) type II catalyzes the aminolysis of benzylidene malonates by regiospecific amidation of substrates and afforded the Z-isomer; no E-isomer or diamide byproducts were observed. PPL also catalyzes Michael addition of acetophenone to various derivatives of chalcones.

Chiral-Zn(NTf2)2-complex-catalyzed diastereo- and enantioselective direct conjugate addition of arylacetonitriles to alkylidene malonates

Yao, Jingjing,Liu, Xiaohua,He, Peng,Zhu, Yin,Lian, Xiangjin,Lin, Lili,Feng, Xiaoming

supporting information, p. 16424 - 16430 (2013/12/04)

Chiral N,N′-dioxide/Zn(NTf2)2 complexes were demonstrated to be highly effective in the direct asymmetric conjugate addition of arylacetonitriles to alkylidene malonates under mild conditions. A wide range of substrates were tolerated to afford their corresponding products in moderate-to-good yields with high diastereoselectivities (82:18->99:1 d.r.) and enantioselectivities (81-99 % ee). The reactions performed well, owing to the high Lewis acidity of the metal triflimidate and a ligand-acceleration effect. The N,N′-dioxide also benefited the deprotonation process as a Bronsted base. The catalytic reaction could be performed on the gram-scale with retention of yield, diastereoselectivity, and enantioselectivity. The products that contained functional groups were ready for further manipulation. In addition, a possible catalytic model was proposed to explain the origin of the asymmetric induction. Copyright

Asymmetric cyanation of activated olefins with ethyl cyanoformate catalyzed by a modular titanium catalyst

Wang, Jun,Li, Wei,Liu, Yanling,Chu, Yangyang,Lin, Lili,Liu, Xiaohua,Feng, Xiaoming

supporting information; experimental part, p. 1280 - 1283 (2010/06/15)

"Chemical Equation Presented" Asymmetric cyanation of a class of easily available olefins with a favorable cyanide source ethyl cyanoformate (CNCOOEt) was realized by an interesting modular catalyst. High yields and ee values were obtained for a range of substrates under solvent-free and mild reaction conditions. The products obtained could be easily transformed to the enantioenriched useful intermediates 5,6, and pharmaceutically Important γ-aminobutyric acid 7.

An effcient protocol for accessing β-Amino dicarbonyl compounds through aza-Michael reaction

Meskini, Ihssan,Toupet, Loi?c,Daoudi, Maria,Kerbal, Abdelali,Bennani, Brahim,Dixneuf, Pierre H.,Chohan, Zahid H.,Leite, Ana Cristina Lima,Hadda, Taibi Ben

experimental part, p. 1129 - 1135 (2010/10/21)

β-Amino dicarbonyl compounds comprise a class of useful ligands on the coordination chemistry. In view of their importance, an effcient and facile method for the synthesis of β-amino dicarbonyl compounds has been developed, exploring the aza-Michael addition reactions in an aqueous medium. It was possible to achieve good to excellent yields, along with regioselectivity, the substituted diethyl 2-(phenylmethyl)malonates that were easily isolated without any chromatographic purifcation. The correct confguration of two of these β-amino dicarbonyl compounds were confrmed by X-ray crystallography. A complementary mechanism of this aza-Michael protocol is proposed to explain the results obtained.

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