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3,4,5-Trimethoxyphenyl acetic acid methyl ester is an organic compound with the chemical formula C11H14O5. It is a derivative of phenylacetic acid, featuring a phenyl ring with three methoxy groups at the 3, 4, and 5 positions, and an acetic acid group at the para position. The esterification of the carboxylic acid group with methanol results in the formation of a methyl ester. 3,4,5-TRIMETHOXYPHENYL ACETIC ACID METHYL ESTER is known for its potential applications in the synthesis of various pharmaceuticals and agrochemicals, particularly as an intermediate in the production of certain drugs and pesticides. Its structure provides a unique set of properties that can be exploited in chemical reactions, making it a valuable component in the field of organic chemistry.

2989-06-2

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2989-06-2 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 2989-06-2 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,9,8 and 9 respectively; the second part has 2 digits, 0 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 2989-06:
(6*2)+(5*9)+(4*8)+(3*9)+(2*0)+(1*6)=122
122 % 10 = 2
So 2989-06-2 is a valid CAS Registry Number.

2989-06-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name Methyl 2-(3,4,5-trimethoxyphenyl)acetate

1.2 Other means of identification

Product number -
Other names Trimethylaetherhomogallussaeure-methylester

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:2989-06-2 SDS

2989-06-2Relevant academic research and scientific papers

Lead Optimization: Synthesis and Biological Evaluation of PBT-1 Derivatives as Novel Antitumor Agents

Chen, Xiaoyan,Goto, Masuo,Lee, Kuo-Hsiung,Morris-Natschke, Susan L.,Xie, Lan

supporting information, p. 1948 - 1954 (2021/12/01)

Phenanthrene-based tylophorine-1 (PBT-1) was identified previously as a lead compound in an anticancer drug discovery effort based on natural Tylophora alkaloids. An expanded structural optimization using a new more efficient synthetic route provided 14 P

B(C6F5)3-catalyzed O-H insertion reactions of diazoalkanes with phosphinic acids

Jiang, Jun,Zhang, Xinzhi,Zhang, Yangyang,Zhao, Jincheng

supporting information, p. 5772 - 5776 (2021/07/12)

A highly efficient base-, metal-, and oxidant-free catalytic O-H insertion reaction of diazoalkanes and phosphinic acids in the presence of B(C6F5)3has been developed. This powerful methodology provides a green approach towards the synthesis of a broad spectrum of α-phosphoryloxy carbonyl compounds with good to excellent yields (up to 99% yield). The protocol features the advantages of operational simplicity, high atom economy, practicality, easy scalability and environmental friendliness.

6,7-Benzotropolone Syntheses Based on Ring-Closing Metatheses and Four-Electron Oxidations

Brückner, Reinhard,Fernandes, Manuel A.,Gemander, Manuel,Green, Ivan R.,Kreibich, Michael,Peter, David,Yadav, Dharmendra B.,de Koning, Charles B.,van Otterlo, Willem A. L.

, (2020/05/18)

Four homoallyl ortho-vinylaryl ketones (10a-d) – 1,8-dienes of sorts – were prepared by several approaches. In the presence of 1–2 mol-% Grubbs-II catalyst, they ring-closed to give 6,7-dihydrobenzocyclohepten-5-ones (11a-d) in 90–96 % yield. With SeO2 the parent compound (11a) delivered benzocyclohepten-5-one (13a) and/or selenium-containing compounds (18–22) but no more than traces of 6,7-benzotropolone (5a). However, 5a was accessible from compound 11a via the sodium enolate and allowing it to react with a stream of oxygen (43 % yield). The sodium enolates of the substituted 6,7-dihydrobenzocyclohepten-5-ones 11b–d and oxygen underwent analogous 4-electron oxidations. This furnished the substituted 6,7-benzotropolones 11b-d. In contrast, the corresponding lithium enolates were inert towards oxygen. The 6,7-dihydrobenzocyclohepten-5-one 11d was also accessed differently, namely by a Grubbs-II catalyst-mediated RCM/C=C migration tandem reaction of the allyl ortho-allylaryl ketone 73 – another 1,8-diene of sorts (90 % yield).

Copper-Catalyzed and Indium-Mediated Methoxycarbonylation of Unactivated Alkyl Iodides with Balloon CO

Chen, Yanchi,Su, Lei,Gong, Hegui

supporting information, p. 4689 - 4693 (2019/06/27)

This work emphasizes the synthesis of alkyl esters via Cu-catalyzed and In-mediated alkoxycarbonylation of unactivated alkyl iodides in the presence of In or InI. The reactions were suitable for the preparation of primary, secondary, and even tertiary alkyl esters, representing an exceptionally rare example for the creation of quaternary carbon centers upon formation of esters. The preliminary mechanistic studies indicated that alkyl radicals were involved, and Cu/In/CO played a cooperative role in the carbonylation event.

Anti-acute myeloid leukemia activity of 2-chloro-3-alkyl-1,4-naphthoquinone derivatives through inducing mtDNA damage and GSH depletion

Li, Kun,Yang, Kun,Zheng, Lifang,Li, Yuanyuan,Wang, Qi,Lin, Ruili,He, Dian

, p. 4191 - 4200 (2018/07/21)

2-Chloro-3-alkyl-1,4-naphthoquinone derivatives were synthesized and tested as the anti-acute myeloid leukaemia agents. The compound 9b (2-chloro-3-ethyl-5,6,7-trimethoxy-1,4-naphthoquinone) was the most potent toward HL-60 leukaemia cells. In mechanistic study for 9b, the protein levels of mtDNA-specific DNA polymerase γ (poly-γ) and mtDNA transcription factor A (mt-TFA) were decreased after the 24 h treatment, showing the occurrence of mtDNA damage. And 9b triggered cell cycle arrest at S phase accompanied by a secondary block in G2/M phase which had a direct link to the process of mtDNA damage. The dissipations of mitochondrial membrane potential and ATP also proceeded. On the other hand, 9b promoted the generation of ROS and resulted in the oxidation of intracellular GSH to GSSG. This process was coupled to the formation of adduct between 9b and GSH, detected by the UV–Vis spectrum and HRMS analysis. Depletion of GSH by buthionine sulfoximine enhanced ROS level and produced higher cytotoxicity, suggesting GSH was involved in the anti-leukemic mechanism of 9b. Together, our results provide new insights on the molecular mechanism of the derivatives of 2-chloro-1,4-naphthoquinone and 9b might be useful for the further development into an anti-leukemia agent.

Diversity Oriented Synthesis of Allocolchicinoids with Fluoro and/or Oxygen Substituent(s) on the C-Ring from a Single Common Intermediate

Takubo, Keita,Furutsu, Kazunori,Ide, Takafumi,Nemoto, Hiroyuki,Ueda, Yuko,Tsujikawa, Kazutake,Ikawa, Takashi,Yoshimitsu, Takehiko,Akai, Shuji

supporting information, p. 1562 - 1576 (2016/04/05)

Allocolchicinoids, with a distinct polyoxygenated dibenzocycloheptane skeleton, attract much attention as potential candidate anticancer drugs. In this study, eight C-ring fluorinated analogues of allocolchicinoids, seven C-ring oxygen-substituted analogu

Synthesis of Benzo[a]carbazoles and an Indolo[2,3-a]carbazole from 3-Aryltetramic Acids

Truax, Nathanyal J.,Banales Mejia, Fernando,Kwansare, Deborah O.,Lafferty, Megan M.,Kean, Maeve H.,Pelkey, Erin T.

, p. 6808 - 6815 (2016/08/16)

A simple and flexible approach to 3-pyrrolin-2-one fused carbazoles is disclosed. The key step involves the BF3-mediated electrophilic substitution of indoles with N-alkyl-substituted 3-aryltetramic acids, which provides access to indole-substituted 3-pyrrolin-2-ones. Scholl-type oxidative cyclizations of these materials led to the formation of the corresponding 3-pyrrolin-2-one-fused benzo[a]carbazoles and indolo[2,3-a]carbazoles. This work represents the first synthesis of the benzo[a]pyrrolo[3,4-c]carbazol-3(8H)-one ring system, while the indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one ring system is found in a number of biologically active compounds including the protein kinase C (PKC) inhibitor, staurosporine.

Synthesis of derivatives of [I-131] phenylalkylamines for brain mapping

Sintas, Jose A.,Vitale, Arturo A.

, p. 53 - 61 (2007/10/03)

The synthesis and spectral properties of new radioiodinated phenylalkylamines like 2-[131I]-iodo-4,5-dimethoxyphenethylamine, 2- [131I]-iodo-4,5-dimethoxy-N,N-dimethylphenethylamine 2-[131I]- iodophenethylamine, 2-[131I]-iodo-N,N-dimethylphenethylamine, 2-[131I]- iodo-3,4,5-trimethoxy-phenethylamine (mescaline) are described for the first time. These compounds are of biological importance and can be used for brain mapping with SPECT technology.

Synthesis and action on the central nervous system of mescaline analogues containing piperazine or homopiperazine rings

Majchrzak,Kotelko,Guryn,Lambert,Szadowska,Kowalczyk

, p. 304 - 306 (2007/10/02)

Structural juxtaposition of the 3,4,5-trimethoxyphenyl group is the same molecule with a piperazine or homopiperazine ring has been realized in a series of mescaline analogues (I-IV) as part of an investigation into the pharmacological properties of the seven-membered perhydro-1,4-diazepines (homopiperazines). The analogous six-membered piperazines were synthesized and tested as reference substances to determine whether the seven-membered ring conveyed special properties. A variety of pharmacological tests of action on the CNS showed that replacement of the amino group in mescaline by the heterocycles significantly alters the biological activity. In particular, both the piperazine and the homopiperazine derivatives displayed sedative activity to about the same extent.

Selective and potent β2-adrenoceptor agents within the tetrahydroisoquinoline class: Effect of methyl substitution at the benzylic carbon of the 1-(3,4,5-trimethoxybenzyl) group of trimetoquinol

Sober,Chang,Fowble,Mukhopadhyay,Feller,Miller,Fairchild

, p. 970 - 974 (2007/10/02)

A systematic series of methyl (2 and 3) and dimethyl (4) analogues of trimetoquinol (1) were synthesized and evaluated for their β1 (atria) and β2 (trachea) adrenoceptor activities. Structural assignments for the erythro (2) and the

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