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Benzoic acid, 3,4,5-trimethoxy-, 2-acetylphenyl ester is a complex organic compound with the chemical formula C18H18O7. It is an ester derivative of benzoic acid, where the hydroxyl group of the parent acid is replaced by a 2-acetylphenyl group. The molecule features three methoxy groups attached to the benzene ring at the 3, 4, and 5 positions, and an acetyl group (a two-carbon acyl group) attached to the 2-position of the phenyl ring. Benzoicacid, 3,4,5-trimethoxy-, 2-acetylphenyl ester is known for its potential applications in the pharmaceutical and chemical industries, particularly as an intermediate in the synthesis of various drugs and other organic compounds. Its structure and properties make it a versatile building block in organic synthesis, with potential uses in the development of new medications and other chemical products.

6959-89-3

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6959-89-3 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 6959-89-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,9,5 and 9 respectively; the second part has 2 digits, 8 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 6959-89:
(6*6)+(5*9)+(4*5)+(3*9)+(2*8)+(1*9)=153
153 % 10 = 3
So 6959-89-3 is a valid CAS Registry Number.
InChI:InChI=1/C18H18O6/c1-11(19)13-7-5-6-8-14(13)24-18(20)12-9-15(21-2)17(23-4)16(10-12)22-3/h5-10H,1-4H3

6959-89-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name (2-acetylphenyl) 3,4,5-trimethoxybenzoate

1.2 Other means of identification

Product number -
Other names 3,4,5-trimethoxy-benzoic acid-(2-acetyl-phenyl 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:6959-89-3 SDS

6959-89-3Relevant academic research and scientific papers

Synthesis, biological evaluation, and NMR studies of 3-fluorinated derivatives of 3′,4′,5′-trihydroxyflavone and 3′,4′,5′-trimethoxyflavone

Alshammari, Maali D.,Kucheryavy, Pavel V.,Ashpole, Nicole M.,Colby, David A.

, (2020/12/17)

Flavones are valuable scaffolds in medicinal chemistry, especially as they display activity as antioxidants and neuroprotective agents. The need to incorporate a fluorine atom on flavones has driven much of the recent synthetic work in this area. We now r

Synthesis of 3,5-diarylisoxazole derivatives and evaluation of in vitro trypanocidal activity

De Souza, Aline A. N.,Xavier, Viviane F.,Coelho, Gleicekelly S.,Sales Junior, Policarpo A.,Romanha, Alvaro J.,Murta, Silvane M. F.,Carneiro, Claudia M.,Taylor, Jason G.

, p. 269 - 277 (2017/12/08)

Chagas disease is included in the neglected tropical diseases list and is endemic to 21 Latin American countries. The two drugs currently available for treating Chagas disease are nifurtimox and benznidazole and both result in many significant side effects. The study describes the synthesis and biological evaluation of 3,5-disubstituted isoxazoles. Isoxazoles were obtained by reaction of flavones and hydroxylamine and either alkylated at the free hydroxyl group and/or nitrated at the isoxazole ring. These compounds were evaluated for their in vitro anti-Trypanosoma cruzi activity against trypomastigote and amastigote forms of the parasite in T. cruzi-infected cell lineages. Benznidazole was used as a reference compound for the in vitro assay and mammalian L929 cells were employed to evaluate cytotoxicity. A majority of the compounds tested were very active and the most active isoxazole against amastigote and trypomastigotes of T. cruzi was slightly more potent than the current medicine benznidazole.

Design, synthesis and biological evaluation of 2-Phenyl-4H-chromen-4-one derivatives as polyfunctional compounds against Alzheimer’s disease

Singh, Manjinder,Kaur, Maninder,Vyas, Bhawna,Silakari, Om

, p. 520 - 530 (2017/10/09)

Polyfunctional compounds comprise a novel class of therapeutic agents for the treatment of multi-factorial diseases. A series of 2-Phenyl-4H-chromen-4-one and its derivatives (5a–n) were designed, synthesized, and evaluated for their poly-functionality against acetylcholinestrase (AChE) and advanced glycation end products (AGEs) formation inhibitors against Alzheimer’s disease (AD). The screening results showed that most of them exhibited a significant ability to inhibit AChE AGEs formation with additional radical scavenging activity. Especially, 5m, 5b, and 5j displayed the greatest ability to inhibit AChE (IC50 = 8.0, 8.2, and 11.8 nM, respectively) and AGEs formation (IC50 = 55, 79, and 54 μM, respectively) with good antioxidant activity. Molecular docking studies explored the detailed interaction pattern with active, peripheral, and mid-gorge sites of AChE. These compounds, exhibiting such multiple pharmacological activities, can be further taken a lead for the development of potent drugs for the treatment of Alzheimer’s disease.

Synthesis, antiproliferative and pro-apoptotic effects of nitrostyrenes and related compounds in Burkitt’s lymphoma

Byrne, Andrew J.,Bright, Sandra A.,Fayne, Darren,McKeown, James P.,McCabe, Thomas,Twamley, Brendan,Williams, Clive,Meegan, Mary J.

, p. 181 - 199 (2018/03/13)

Background: Cancers of the lymphatic cells (lymphomas) account for approximately 12% of malignant diseases worldwide. The nitrostyrene scaffold is identified as a lead target structure for the development of particularly effective compounds targeting Burkitt’s lymphoma (BL). Objectives: The aims of the curent study were to synthesise a panel of nitrostyrene compounds and to evaluate their activity in Burkitt’s lymphoma (BL). Methods: A panel of structurally varied compounds were designed and synthesised using Henry Knoevenagel condensation reactions. Single crystal X-Ray analysis confirmed the E configuration for six examples of these novel structures. A number of nitrostyrene-related compounds were also investigated including 1,3-bis(aryl)-2-nitropropenes together with heterocyclic scaffolds containing the nitrovinyl pharmacophore such as 3-nitro-2-phenyl-2H-chromenes. The antiproliferative activities of the compounds were evaluated using the BL cell lines EBV- MUTU-1 and EBV+ DG-75 (chemoresistant) to establish preliminary structure-activity relationships. Results: Lead compounds with optimized nitrostyrene scaffolds and 3-nitro-2-phenyl-2Hchromene structures were successfully established with typical IC50 values of 0.45 μM and 0.47 μM in MUTU-1 cells and 1.41 μM and 1.92 μM, respectively, in DG-75 cells. The mechanism of cell death was identified as apoptotic and the lead compound was found to elicit comparable apoptotic effects to Taxol in Burkitt’s lymphoma cell lines MUTU-1 and DG-75. Conclusion: This class of pharmaceutically active compounds with potential for the treatment of Burkitt’s lymphoma suggest a potential role for nitrostyrene based agents in chemotherapy.

Synthesis and anti-trypanosoma cruzi activity of diaryldiazepines

Menezes, Jlio Csar L.,Vaz, Luana Beatriz A.,De Vieira, Paula Melo Abreu,Fonseca, Ktia Da Silva,Carneiro, Cludia Martins,Taylor, Jason G.

, p. 43 - 51 (2015/01/30)

Chagas disease is a so-called "neglected disease" and endemic to Latin America. Nifurtimox and benznidazole are drugs that have considerable efficacy in the treatment of the acute phase of the disease but cause many significant side effects. Furthermore, in the Chronic Phase its efficiency is reduced and their therapeutic effectiveness is dependent on the type of T. cruzi strain. For this reason, the present work aims to drive basic research towards the discovery of new chemical entities to treat Chagas disease. Differently substituted 5,7-diaryl-2,3-dihydro-1,4-diazepines were synthesized by cyclocondensation of substituted flavones with ethylenediamine and tested as anti-Trypanosoma cruzi candidates. Epimastigotes of the Y strain from T. cruzi were used in this study and the number of parasites was determined in a Neubauer chamber. The most potent diaryldiazepine that reduced epimastigote proliferation exhibited an IC50 value of 0.25 μM, which is significantly more active than benznidazole.

Synthesis and biological evaluation of novel flavonols as potential anti-prostate cancer agents

Britton, Robert G.,Horner-Glister, Emma,Pomenya, Odette A.,Smith, Ewan E.,Denton, Roanne,Jenkins, Paul R.,Steward, William P.,Brown, Karen,Gescher, Andreas,Sale, Stewart

experimental part, p. 952 - 958 (2012/10/08)

A library of flavonol analogues was synthesised and evaluated as potential anticancer agents against a human prostate cancer cell line, 22rν1. Compounds 3, 8 and 11 (IC50 2.6, 3.3 and 4.0 μM respectively) showed potent cancer cell growth inhibi

Synthesis and anti-tubulin evaluation of chromone-based analogues of combretastatins

Quintin, Jér?me,Roullier, Catherine,Thoret, Sylviane,Lewin, Guy

, p. 4038 - 4051 (2007/10/03)

Twenty new hybrid compounds with both combretastatin and flavone moieties were synthesized. These derivatives are classified according to the position of the trimethoxyphenyl ring at C-2 or C-3 of the chromone and presence or absence of a carbonyl as a linker between C-3 and the aryl ring. Most of these compounds were prepared from hesperidin or naringin, two natural and abundant Citrus flavonoids. Seven of these combretastatin analogues revealed anti-tubulin activity but in a medium range.

The Preparation of Flavones and their Derivatives. Part I. Flavones and 4-Thioflavones.

Briggs, Malcolm T.,Duncan, Graham L. S.,Thornber, Craig W.

, p. 2461 - 2487 (2007/10/02)

A series of polysubstituted flavones has been prepared with particular emphasis on 3',4',5',5,7-pentahydroxyflavone and its ether derivatives.The preparation of 4-thioflavones has been undertaken to provide intermediates for the preparation of 4-iminoflav

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