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1-(6-methyl-1H-indol-3-yl)ethanone, also known as 6-MIE, is a chemical compound with the molecular formula C11H11NO. It is a ketone derivative of indole, a heterocyclic aromatic organic compound. 6-MIE is recognized for its potential applications in various industries and its pharmacological properties, which include analgesic and anti-inflammatory effects, making it a significant molecule of interest for further scientific study.

1094718-97-4

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1094718-97-4 Usage

Uses

Used in Pharmaceutical Synthesis:
1-(6-methyl-1H-indol-3-yl)ethanone is used as an intermediate in the pharmaceutical industry for the synthesis of various drugs. Its unique chemical structure allows it to be a key component in the development of new medications.
Used in Agrochemical Production:
In the agrochemical industry, 1-(6-methyl-1H-indol-3-yl)ethanone is utilized as an intermediate in the production of agrochemicals, contributing to the development of pesticides and other compounds that aid in crop protection and enhancement.
Used in Fragrance Compounds:
The fragrance industry employs 1-(6-methyl-1H-indol-3-yl)ethanone as a component in the creation of various scent compounds. Its aromatic properties make it a valuable addition to the development of new fragrances.
Used in Environmental Research:
1-(6-methyl-1H-indol-3-yl)ethanone is used as a subject of study in environmental research due to its identification as a potential environmental pollutant. Understanding its impact on aquatic organisms is crucial for assessing and mitigating its effects on ecosystems.
Used in Scientific Research:
6-MIE is used as a molecule of interest in scientific research, particularly for its pharmacological properties. Its analgesic and anti-inflammatory effects are being investigated for potential therapeutic applications in medicine.

Check Digit Verification of cas no

The CAS Registry Mumber 1094718-97-4 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,0,9,4,7,1 and 8 respectively; the second part has 2 digits, 9 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 1094718-97:
(9*1)+(8*0)+(7*9)+(6*4)+(5*7)+(4*1)+(3*8)+(2*9)+(1*7)=184
184 % 10 = 4
So 1094718-97-4 is a valid CAS Registry Number.

1094718-97-4SDS

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 1-(6-Methyl-1H-indol-3-yl)ethanone

1.2 Other means of identification

Product number -
Other names 6-methyl-3-acetylindole

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:1094718-97-4 SDS

1094718-97-4Relevant academic research and scientific papers

Feasible selective synthesis of 3-Acetylindoles and 3-Acetoacetylindoles from β-ethylthio-β-indoly α, β-unsaturated ketones

Wang, Wen-Ju,Yu, Hai-Feng

, p. 377 - 385 (2019)

An efficient and selective synthesis of 3-acetyl free(N-H)/N-substituded indoles and 3-acetoacetyl free(N-H)/N-substituded indoles has been developed via the hydrolysis reaction of β-ethylthio-β-indoly α, β-unsaturated ketones in the presence of 3 equivalent of NaOH and 5 mol% of H2SO4, respectively. The procedure features easy operation, excellent yields, and high selectivity, compatibility and practicability.

A radical addition and cyclization relay promoted by Mn(OAc)3?2H2O: Synthesis of 1,2-oxaphospholoindoles and mechanistic study

Xu, Meng-Meng,Kou, Lu-Yao,Bao, Xiao-Guang,Xu, Xiao-Ping,Ji, Shun-Jun

supporting information, p. 1915 - 1919 (2021/03/09)

Novel and efficient Mn(OAc)3?2H2O promoted radical addition-[4 + 1] cyclization relay of 3-indolymethanols and phosphites was disclosed, which afforded 1,2-oxaphospholoindole derivatives in moderate to good yields. Based on the experimental and computational studies, a mechanism involving radical addition and intramolecular cyclization cascade was proposed.

Rh(III)-Catalyzed [5 + 1] Annulation of Indole-enaminones with Diazo Compounds to Form Highly Functionalized Carbazoles

Jiang, Zhidong,Liu, Hong,Zhou, Jianhui,Zhou, Yu,Zhu, Haoran

supporting information, p. 4406 - 4410 (2021/06/28)

A novel Rh(III)-catalyzed C-H activation/annulation cascade of indole-enaminones with diazo compounds was reported to construct diversely functionalized carbazole frameworks. The most notable characteristic is that this transformation could smoothly furnish a novel [5 + 1] cyclization product with good to excellent yields (up to 95%), accompanied by the thorough removal of acetyl and N,N-dimethyl groups of two substrates from the target products, rather than the normally expected [4 + 2] cyclization products.

Cascade Reaction to Selectively Synthesize Multifunctional Indole Derivatives by IrIII-Catalyzed C?H Activation

Chai, Xin-Yue,Xu, Hui-Bei,Dong, Lin

supporting information, p. 13123 - 13127 (2021/08/13)

An effective and condition-controlled way to synthesize with high selectivity a variety of functionalized indoles with potent biological properties has been developed. Notably, 2,4-dialkynyl indole products were obtained by direct double C?H bond alkynylation, whereas alkynyl at the C4 position could convert to carbonyl to generate 2-alkynyl-3,4-diacetyl indoles fast and effectively. Additionally, a one-pot relay catalytic reaction led to 2,5-di-alkynyl-3,4-diacetyl indoles when using a carbonyl group as the directing group and by controlling the type and quantity of additives. A possible mechanism was proposed based on many studies including deuterium-exchange experiments, the necessary conditions of product conversion, and the effect of water on the reaction.

Rhodium(III)-catalyzed C4-amidation of indole-oximes with dioxazolones: Via C-H activation

Deng, Ke-Zuan,Fu, Xiao-Pan,Ji, Ya-Fei,Tang, Shi-Biao,Wu, Gao-Rong,Xia, Cheng-Cai,Yang, Jin-Yue,Zhang, Li-Li

supporting information, p. 7922 - 7931 (2020/11/02)

A novel method for the Rh(III)-catalyzed oxime-directed C-H amidation of indoles with dioxazolones has been developed. This strategy provides an exclusive site selectivity and the directing group can be easily removed. This transformation features a wide substrate scope, good functional group tolerance and excellent yields, and may serve as a significant tool to construct structurally diverse indole derivatives for the screening of potential pharmaceuticals in the future. This journal is

Antifungal agents. Part 3: Synthesis and antifungal activities of 3-acylindole analogs against phytopathogenic fungi in vitro

Xu, Hui,Bin Yang, Wen,Wang, Qin

experimental part, p. 864 - 868 (2012/06/29)

To find more potent antifungal compounds, twenty 3-acylindole analogs were synthesized and bio-evaluated for their antifungal activities against seven phytopathogenic fungi. Structure-activity relationships investigations revealed that 4- or 6-methyl and 3-acetyl or propionyl groups were the important structural properties of 3-acylindoles for the activities. Especially 4-methyl-3-propionylindole, 12, displayed the more potent activities than hymexazol, a commercially available agricultural fungicide, and might be considered as a new promising lead candidate for further design and synthesis of agricultural fungicides.

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