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ETHYL 3,4-DIMETHOXYPHENYLACETATE, with the chemical formula C12H16O4, is an ethyl ester of 3,4-dimethoxyphenylacetic acid. This organic compound is known for its sweet and fruity aroma, making it a valuable ingredient in the flavoring of food products. It also contributes to the creation of perfumes and fragrances due to its pleasant scent. Beyond its sensory attributes, it has been studied for its potential antioxidant and anti-inflammatory properties, indicating a broader scope of applications, particularly in the pharmaceutical industry, albeit with caution due to its potential toxicity at high concentrations.

18066-68-7

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18066-68-7 Usage

Uses

Used in Food Industry:
ETHYL 3,4-DIMETHOXYPHENYLACETATE is used as a flavoring agent for its sweet and fruity aroma, enhancing the taste and smell of various food products.
Used in Perfume and Fragrance Industry:
It serves as a key component in the production of perfumes and fragrances, where its pleasant scent contributes to the overall appeal of these products.
Used in Pharmaceutical Industry:
ETHYL 3,4-DIMETHOXYPHENYLACETATE is used as a potential antioxidant and anti-inflammatory agent, indicating its possible role in the development of medications. However, its application in this field is approached with caution due to concerns regarding its toxicity at high concentrations.

Check Digit Verification of cas no

The CAS Registry Mumber 18066-68-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,8,0,6 and 6 respectively; the second part has 2 digits, 6 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 18066-68:
(7*1)+(6*8)+(5*0)+(4*6)+(3*6)+(2*6)+(1*8)=117
117 % 10 = 7
So 18066-68-7 is a valid CAS Registry Number.
InChI:InChI=1/C12H16O4/c1-4-16-12(13)8-9-5-6-10(14-2)11(7-9)15-3/h5-7H,4,8H2,1-3H3

18066-68-7 Well-known Company Product Price

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  • Alfa Aesar

  • (A13796)  Ethyl 3,4-dimethoxyphenylacetate, 98%   

  • 18066-68-7

  • 50g

  • 737.0CNY

  • Detail
  • Alfa Aesar

  • (A13796)  Ethyl 3,4-dimethoxyphenylacetate, 98%   

  • 18066-68-7

  • 250g

  • 2661.0CNY

  • Detail
  • Alfa Aesar

  • (A13796)  Ethyl 3,4-dimethoxyphenylacetate, 98%   

  • 18066-68-7

  • 1000g

  • 6736.0CNY

  • Detail

18066-68-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl 2-(3,4-dimethoxyphenyl)acetate

1.2 Other means of identification

Product number -
Other names Homoveratric acid,ethyl ester

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:18066-68-7 SDS

18066-68-7Relevant academic research and scientific papers

NURR1 RECEPTOR MODULATORS

-

Paragraph 0646; 1213-1215, (2020/09/08)

Described herein, inter alia, are Nurr1 receptor modulators and uses thereof. In an aspect is provided a method for treating a disease associated with dysregulation and/or degeneration of dopaminergic neurons in the central nervous system of a subject in need thereof, the method including administering to the subject in need thereof a therapeutically effective amount of a compound described herein.

Preparation of Organic Nitrates from Aryldiazoacetates and Fe(NO3)3·9H2O

Thurow, Samuel,Fernandes, Alessandra A. G.,Quevedo-Acosta, Yovanny,De Oliveira, Matheus F.,De Oliveira, Marcelo G.,Jurberg, Igor D.

, p. 6909 - 6913 (2019/09/12)

A thermal protocol is reported for the formal insertion of nitric acid into aryldiazoacetates using Fe(NO3)3·9H2O. This strategy is mild and high yielding and allows the preparation of a large variety of members of an unprecedented family of organic nitrates. The nitrate group can be also readily transformed into other functional groups and heterocyclic moieties and can possibly allow new biological explorations of untapped potential associated with their NO-releasing ability.

Rapid Assembly of Saturated Nitrogen Heterocycles in One-Pot: Diazo-Heterocycle “Stitching” by N–H Insertion and Cyclization

Boddy, Alexander J.,Affron, Dominic P.,Cordier, Christopher J.,Rivers, Emma L.,Spivey, Alan C.,Bull, James A.

supporting information, p. 1458 - 1462 (2019/01/04)

Methods that provide rapid access to new heterocyclic structures in biologically relevant chemical space provide important opportunities in drug discovery. Here, a strategy is described for the preparation of 2,2-disubstituted azetidines, pyrrolidines, pi

Efficient microwave-assisted esterification reaction employing methanesulfonic acid supported on alumina as catalyst

Fabian, Lucas,Gomez, Matias,Kuran, Juan A. Caturelli,Moltrasio, Graciela,Moglioni, Albertina

, p. 2386 - 2392 (2014/07/22)

A rapid and efficient protocol assisted by microwave irradiation for the synthesis of esters using methanesulfonic acid (CH3SO3H) supported on Al2O3 (AMA) as catalyst and free of solvent is described. The products were obtained in good yields and purity, with reduced reaction time, and the process is simple and environmentally benign. Copyright

Nature and kinetic analysis of carbon-carbon bond fragmentation reactions of cation radicals derived from SET-oxidation of lignin model compounds

Cho, Dae Won,Parthasarathi, Ramakrishnan,Pimentel, Adam S.,Maestas, Gabriel D.,Park, Hea Jung,Yoon, Ung Chan,Dunaway-Mariano, Debra,Gnanakaran,Langan, Paul,Mariano, Patrick S.

supporting information; experimental part, p. 6549 - 6562 (2010/12/19)

Features of the oxidative cleavage reactions of diastereomers of dimeric lignin model compounds, which are models of the major types of structural units found in the lignin backbone, were examined. Cation radicals of these substances were generated by using SET-sensitized photochemical and Ce(IV) and lignin peroxidase promoted oxidative processes, and the nature and kinetics of their C- bond cleavage reactions were determined. The results show that significant differences exist between the rates of cation radical C1-2 bond cleavage reactions of 1,2-diaryl-(β-1) and 1-aryl-2-aryloxy-(β-O-4) propan-1,3-diol structural units found in lignins. Specifically, under all conditions C1-2 bond cleavage reactions of cation radicals of the β-1 models take place more rapidly than those of the β-O-4 counterparts. The results of DFT calculations on cation radicals of the model compounds show that the C1-2 bond dissociation energies of the β-1 lignin model compounds are significantly lower than those of the β-O-4 models, providing clear evidence for the source of the rate differences.

Enzymatic desymmetrization of prochiral 2-substituted-1,3-diamines: Preparation of valuable nitrogenated compounds

Rios-Lombardia, Nicolas,Busto, Eduardo,Garcia-Urdiales, Eduardo,Gotor-Fernandez, Vicente,Gotor, Vicente

supporting information; experimental part, p. 2571 - 2574 (2009/07/25)

A wide range of prochiral 1, 3-diamines were first efficiently synthesized and subsequently desymmetrized by using lipase from Pseudomonas cepacia as catalyst and diallyl carbonate as alkoxycarbonylating agent. In all cases, the amino carbamates of R-configuration were recovered. Final selective cleavage of the N-allyloxycarbonyl moiety was carried out under mild reaction conditions, which demonstrates the high versatility and potential of this chemoenzymatic route as a source of intermediates in the synthesis of related optically active nitrogenated derivatives.

4-Amino-5-aryl-6-arylethynylpyrimidines: Structure-activity relationships of non-nucleoside adenosine kinase inhibitors

Matulenko, Mark A.,Paight, Ernest S.,Frey, Robin R.,Gomtsyan, Arthur,DiDomenico Jr., Stanley,Jiang, Meiqun,Lee, Chih-Hung,Stewart, Andrew O.,Yu, Haixia,Kohlhaas, Kathy L.,Alexander, Karen M.,McGaraughty, Steve,Mikusa, Joseph,Marsh, Kennan C.,Muchmore, Steven W.,Jakob, Clarissa L.,Kowaluk, Elizabeth A.,Jarvis, Michael F.,Bhagwat, Shripad S.

, p. 1586 - 1605 (2008/02/01)

A series of non-nucleoside adenosine kinase (AK) inhibitors is reported. These inhibitors originated from the modification of 5-(3-bromophenyl)-7-(6-morpholin-4-ylpyridin-3-yl)pyrido[2,3-d]pyrimidin-4-ylamine (ABT-702). The identification of a linker that would approximate the spatial arrangement found between the pyrimidine ring and the aryl group at C(7) in ABT-702 was a key element in this modification. A search of potential linkers led to the discovery of an acetylene moiety as a suitable scaffold. It was hypothesized that the aryl acetylenes, ABT-702, and adenosine bound to the active site of AK (closed form) in a similar manner with respect to the orientation of the heterocyclic base. Although potent acetylene analogs were discovered based on this assumption, an X-ray crystal structure of 5-(4-dimethylaminophenyl)-6-(6-morpholin-4-ylpyridin-3-ylethynyl)pyrimidin-4-ylamine (16a) revealed a binding orientation contrary to adenosine. In addition, this compound bound tightly to a unique open conformation of AK. The structure-activity relationships and unique ligand orientation and protein conformation are discussed.

Design of polyaromatic hydrocarbon-supported tin reagents: A new family of tin reagents easily removable from reaction mixtures

Stien, Didier,Gastaldi, Stephane

, p. 4464 - 4470 (2007/10/03)

We report in this paper the preparation and use of stannanes 11, 12a, and 12b, compounds whose 3-pyrenylpropyl side chain affinity for activated carbon simplifies tin removal and product isolation. Our pyrene-supported reagents can be used for radical reductions and cyclizations (11), radical and cationic allylations (12a), and Stille couplings (12b) in much the same way as tributyltin derivatives.

1,2-disubstituted-6-oxo-3-phenyl-piperidine-3-carboxamides and combinatorial libraries thereof

-

, (2008/06/13)

The invention relates to combinatorial libraries containing two or more novel piperidine-3-carboxamide derivative compounds, methods of preparing the piperidine-3-carboxamide derivative compounds and piperidine-3-carboxamide derivative compounds bound to a resin

A highly convenient, efficient, and selective process for preparation of esters and amides from carboxylic acids using Fe3+-K-10 montmorillonite clay

Srinivas,Das, Biswanath

, p. 1165 - 1167 (2007/10/03)

In the presence of Fe3+-K-10 montmorillonite clay as a catalyst, aliphatic carboxylic acids selectively produced the corresponding esters in the presence of aromatic carboxylic acids by treatment with alcohols. Both the aliphatic and aromatic carboxylic acids formed the amides by reacting with the aliphatic amines, but only the aliphatic carboxylic acids yielded the anilides by treatment with aromatic amines. The catalyst is recoverable and recyclable.

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