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3-(2-Methoxy-phenyl)-propionic acid ethyl ester is a chemical compound with the formula C12H16O3, characterized by a propionic acid structure featuring a phenyl ring with a methoxy group attached. This ester is known for its applications in organic synthesis and as a fragrance ingredient, with potential pharmaceutical applications due to its structural similarities to biologically active compounds.

5462-13-5

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5462-13-5 Usage

Uses

Used in Organic Synthesis:
3-(2-Methoxy-phenyl)-propionic acid ethyl ester is used as an esterifying reagent in organic synthesis, facilitating the formation of esters and contributing to the synthesis of various organic compounds.
Used in Fragrance Industry:
In the fragrance industry, 3-(2-Methoxy-phenyl)-propionic acid ethyl ester is utilized as a fragrance ingredient, adding unique scents to perfumes and other scented products, enhancing their appeal and sensory experience.
Used in Pharmaceutical Industry:
3-(2-Methoxy-phenyl)-propionic acid ethyl ester may have potential applications in the pharmaceutical industry, given its structural similarity to other compounds with known biological activities. This makes it a candidate for further research and development in drug discovery.
Used in Drug Development Research:
Ongoing research is exploring the potential use of 3-(2-Methoxy-phenyl)-propionic acid ethyl ester in the development of novel drugs or materials, indicating its versatility and potential impact on future therapeutic and industrial applications.

Check Digit Verification of cas no

The CAS Registry Mumber 5462-13-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,4,6 and 2 respectively; the second part has 2 digits, 1 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 5462-13:
(6*5)+(5*4)+(4*6)+(3*2)+(2*1)+(1*3)=85
85 % 10 = 5
So 5462-13-5 is a valid CAS Registry Number.
InChI:InChI=1/C13H18O4/c1-4-17-13(14)8-6-10-5-7-11(15-2)12(9-10)16-3/h5,7,9H,4,6,8H2,1-3H3

5462-13-5SDS

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 3-(2-METHOXY-PHENYL)-PROPIONIC ACID ETHYL ESTER

1.2 Other means of identification

Product number -
Other names 3.4-Dimethoxy-hydrozimtsaeure-aethylester

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:5462-13-5 SDS

5462-13-5Relevant academic research and scientific papers

Catalytic cyclization of propargyl bromoethers via electrogenerated nickel(I) tetramethylcyclam in ionic liquids: Water effects

Mendes,Du?ach,Esperan?a,Medeiros,Ribeiro,Silva,Olivero

, p. G17 - G24 (2019)

Cyclic voltammetry and controlled-potential electrolysis have been employed to investigate the reductive intramolecular cyclization of propargyl bromoethers derivatives, catalyzed by electrogenerated (1,4,8,11-tetramethyl-1,4,8,11-tetraaza-cyclotetradecan

In silico design and synthesis of N-arylalkanyl 2-naphthamides as a new class of non-purine xanthine oxidase inhibitors

Ho, Sheau Ling,Lin, Ching-Ting,Lee, Shoei-Sheng

, p. 789 - 801 (2021/01/12)

A series of N-arylalkanyl 2-naphthamides (Xa~e), which were predicted from virtual molecular docking on a built xanthine oxidase template as potential inhibitors, were synthesized. Their inhibitory activity against xanthine oxidase was assayed. Among these prepared, compounds Xb (IC50 13.6?μM), Xc (IC50 13.1?μM), and Xd (IC50 12.5?μM) showed comparable inhibitory activity to allopurinol (IC50 22.1?μM). The in vitro assay result correlated well with molecular docking scores, ΔG?=??16.99, ?17.66, and ?17.13 Kcal/mol, respectively. On the potassium oxonate-induced hyperuricemic mice model, oral administration of Xc-Ac (40 mg/ Kg), the per-O-acetylated Xc, could reduce the blood uric acid level by 60% in comparison to the normal control group and is statistically significant (p .01) while compared with the hyperuricemic mice group.

Concise synthesis of the vasorelaxant alkaloids schwarzinicines A and B

Lee, Fong-Kai,Krishnan, Premanand,Muhamad, Azira,Low, Yun-Yee,Kam, Toh-Seok,Ting, Kang-Nee,Lim, Kuan-Hon

, (2021/03/26)

A concise synthesis of the 1,4-diarylbutanoid–phenethylamine alkaloids, schwarzinicines A (1) and B (2), recently isolated from Ficus schwarzii, is reported. Key steps include a Claisen condensation to assemble the 1,4-diaryl-2-butanone intermediate, foll

BIOISPIRED PROTEASOME ACTIVATORS WITH ANTIAGEING ACTIVITY

-

Page/Page column 11; 28, (2019/10/01)

The present invention relates to novel bio-inspired hybrid compounds of formula I which act as proteasome activators and exhibit anti-ageing activity, as well as methods for their synthesis. These hybrid compounds combine the structural features of hydroxytyrosol and the natural antioxidant vitamin E or its bioisosteres in one molecular scaffold. The compounds of formula I, which include structural proteasome activators (activation by stereochemical interaction), can be used in the production of anti-ageing products, such as cosmetic preparations. Additionally, they can be used in conditions and diseases where the proteasome is down-regulated, as well as proteasome-activation control compounds.

Coordination chemistry based approach to lipophilic inhibitors of 1-deoxy-D-xylulose-5-phosphate reductoisomerase

Deng, Lisheng,Sundriyal, Sandeep,Rubio, Valentina,Shi, Zheng-Zheng,Song, Yongcheng

supporting information; experimental part, p. 6539 - 6542 (2010/04/04)

1-Deoxy-D-xylulose-5-phosphate reductoisomerase (DXR) in the non-mevalonate pathway found in most bacteria is a validated anti-infective drug target. Fosmidomycin, a potent DXR inhibitor, is active against Gram-negative bacteria. A coordination chemistry and structure based approach was used to discover a novel, lipophilic DXR inhibitor with an IC50 of 1.4 μM. It exhibited a broad spectrum of activity against Gram-negative and -positive bacteria with minimal inhibition concentrations of 20-100 μM (or 3.7-19 μg/mL).

Palladium-catalyzed cross-coupling reactions in one-pot multicatalytic processes

Lebel, Helene,Ladjel, Chehla,Brethous, Lise

, p. 13321 - 13326 (2008/09/17)

Palladium-catalyzed cross-coupling reactions have been investigated in multicatalytic processes to synthesize disubstituted alkenes and alkanes from carbonyl derivatives. The use of copper-catalyzed methylenation reactions is the key starting reaction to produce terminal alkenes which are not isolated, but submitted to further structure elongation. Not only is the isolation of the alkene intermediate unnecessary, but also the copper catalyst is a beneficial cocatalyst in the palladium-catalyzed cross-coupling reactions. The desired products are thus typically obtained in higher yields using this one-pot approach. We have used these processes to synthesize hydroxylated (E)-stilbenoids, which are known chemopreventive and chemotherapeutic agents, odorant-substituted indanes, and non-natural amino acids, such as homophenylalanine.

Inhibition of uridine phosphorylase: Synthesis and structure-activity relationships of aryl-substituted 5-benzyluracils and 1-[(2- hydroxyethoxy)methyl]-5-benzyluracils

Orr,Musso,Boswell,Kelley,Joyner,Davis,Baccanari

, p. 3850 - 3856 (2007/10/02)

A series of 1-[(2-hydroxyethoxy)methyl]-5-benzyluracils were synthesized and tested for inhibition of murine liver uridine phosphorylase (UrdPase). Inhibitors of UrdPase are reported to enhance the chemotherapeutic utility of 5-fluoro-2'-deoxyuridine and 5-fluorouracil and to ameliorate zidovudine- induced anemia in animal models. We prepared a series of 5-aryl-substituted analogues of 5-benzylacyclouridine (BAU), a good inhibitor of UrdPase (IC50 of 0.46 μM), to develop a compound with enhanced potency and improved pharmacokinetics. The first phase of structure-activity relationship studies on a series of 32 aryl-substituted 5-benzyluracils found several 5-(3- alkoxybenzyl) analogues of 5-benzyluracil with enhanced potency. The acyclovir side chain, the (2-hydroxyethoxy)methyl group, was substituted on the more potent aryl-substituted 5-benzyluracils. The two most potent compounds, 10y (3-propoxy) and 10dd (3-sec-butoxy), were inhibitors of UrdPase with IC50s of 0.047 and 0.027 μM, respectively. Six compounds were tested in vivo for effects on steady-state concentrations of circulating uridine in rats. Plasma uridine levels were elevated 3-9-fold by compound levels that ranged from 8 to 50 μM.

Process for the preparation of carboxylic acids and derivatives of them

-

, (2008/06/13)

The subject matter of the invention is a process for the preparation of carboxylic acids and derivatives of them of the general formula STR1 wherein R means hydrogen, or a C1-4 alkyl or a (C1-5 alkoxy)carbonyl group, R1 is as defined in claim 1, R7 stands for hydrogen or a C1-7 alkyl group and R8 means hydrogen or a carboxyl group, by reacting a 1,3-dioxane-4,6-dione derivative of the general formula STR2 wherein R9 stands for a C1-4 alkyl group or a phenyl group, optionally monosubstituted by halogen and R10 stands for hydrogen or a C1-5 alkyl group or R9 and R10 together form a pentamethylene group, and an aldehyde or ketone of the general formula STR3 in the presence of formic acid.

Process for the preparation of carboxylic acids and derivatives of them

-

, (2008/06/13)

The subject matter of the invention is a process for the preparation of carboxylic acids and derivatives of them of the general formula wherein Rmeans hydrogen, or a C1 4alkyl or a (C1 5alkoxy)carbonyl group, R1is as defined in claim 1, R7stands for hydrogen or a C1 7alkyl group and R8means hydrogen or a carboxyl group, by reacting a 1,3-dioxane-4,6-dione derivative of the general formula wherein R9stands for a C1 4alkyl group or a phenyl group, optionally monosubstituted by halogen and R10stands for hydrogen or a C1 5alkyl group or R9 and R10together form a pentamethylene group, and an aldehyde or ketone of the general formula in the presence of formic acid and of [a] amine(s) and, if desired, of an alcohol of the general formula, , R7 - OH VI,, , wherein R7is a C1 7alkyl group, at a temperature of 20 to 140°C, and/or, reducing an unsaturated 1,3-dioxane-4,6-dione derivative of the general formula and/or, a 1,3-dioxane-4,6-dione derivative of the general formula with formic acid in the presence of [a] amine(s) and, if desired, of an alcohol as above defined.

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