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3-[2-(2,5-DIMETHYL-1H-PYRROL-1-YL)ETHYL]-1H-INDOLE is a chemical compound with a molecular formula C18H21N3, belonging to the indole class of compounds. It features a pyrrole ring and a dimethyl-substituted ethyl group attached to the indole ring, which endows it with unique properties. This distinctive structure suggests potential applications in various fields, including organic and medicinal chemistry, as well as drug development. Although its specific uses and biological activities are not yet fully understood, ongoing research may uncover its therapeutic and functional capabilities, leading to the creation of novel drugs or materials with significant applications in medicine and industry.

95399-28-3

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95399-28-3 Usage

Uses

Given the provided materials, there are no specific applications listed for 3-[2-(2,5-DIMETHYL-1H-PYRROL-1-YL)ETHYL]-1H-INDOLE. However, based on its chemical structure and the general uses of indole derivatives, we can hypothesize potential applications:
Used in Pharmaceutical Industry:
3-[2-(2,5-DIMETHYL-1H-PYRROL-1-YL)ETHYL]-1H-INDOLE could be used as a pharmaceutical intermediate for the synthesis of new drugs, given its unique chemical structure that may offer novel therapeutic properties.
Used in Organic Chemistry Research:
As a derivative of indole, 3-[2-(2,5-DIMETHYL-1H-PYRROL-1-YL)ETHYL]-1H-INDOLE could be utilized in organic chemistry research to explore new reactions and mechanisms, potentially leading to the development of new synthetic pathways or methodologies.
Used in Drug Development:
3-[2-(2,5-DIMETHYL-1H-PYRROL-1-YL)ETHYL]-1H-INDOLE's distinct structure may provide a foundation for the design of new drug candidates, particularly if its biological activities are found to be beneficial in treating specific diseases or conditions.

Check Digit Verification of cas no

The CAS Registry Mumber 95399-28-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,5,3,9 and 9 respectively; the second part has 2 digits, 2 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 95399-28:
(7*9)+(6*5)+(5*3)+(4*9)+(3*9)+(2*2)+(1*8)=183
183 % 10 = 3
So 95399-28-3 is a valid CAS Registry Number.
InChI:InChI=1/C16H18N2/c1-12-7-8-13(2)18(12)10-9-14-11-17-16-6-4-3-5-15(14)16/h3-8,11,17H,9-10H2,1-2H3

95399-28-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-1H-indole

1.2 Other means of identification

Product number -
Other names 3-[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]-1H-indole

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:95399-28-3 SDS

95399-28-3Downstream Products

95399-28-3Relevant academic research and scientific papers

Sustainable Manganese-Catalyzed Solvent-Free Synthesis of Pyrroles from 1,4-Diols and Primary Amines

Borghs, Jannik C.,Lebedev, Yury,Rueping, Magnus,El-Sepelgy, Osama

supporting information, p. 70 - 74 (2019/01/11)

A general and selective metal-catalyzed conversion of biomass-derived primary diols and amines to the highly valuable 2,5-unsubstituted pyrroles has been developed. The reaction is catalyzed by a stable nonprecious manganese complex (1 mol %) in the absence of organic solvents whereby water and molecular hydrogen are the only side products. The manganese catalyst shows unprecedented selectivity, avoiding the formation of pyrrolidines, cyclic imides, and lactones.

Indium-Catalyzed Formal N-Arylation and N-Alkylation of Pyrroles with Amines

Yonekura, Kyohei,Oki, Kenji,Tsuchimoto, Teruhisa

, p. 2895 - 2902 (2016/09/16)

Under indium Lewis acid catalysis, a nitrogen atom of N-unsubstituted pyrroles was replaced with a nitrogen atom of primary amines, thereby producing N-aryl- and N-alkylpyrroles. This system formally introducing such carbon frameworks to the pyrrole nitrogen atom shows unique selectivity: only the H?N(pyrrolyl) unit undergoes the N-arylation and N-alkylation even in the coexistence of a similar H?N(indolyl) part; and an aryl–halogen bond remains intact. These are clearly different from the typical method depending on the C?N(pyrrolyl) bond-forming reaction with organic halides as substrates. From a viewpoint of pyrrole N-protection–deprotection chemistry, worth noting is that a methyl group on the pyrrole nitrogen atom can be removed, albeit in a formal way. (Figure presented.).

The Paal-Knorr reaction revisited. A catalyst and solvent-free synthesis of underivatized and N-substituted pyrroles

Cho, Hyejin,Madden, Richard,Nisanci, Bilal,T?r?k, Bla

, p. 1088 - 1099 (2015/03/04)

A new, modified synthesis of pyrroles is described. The reaction of 2,5-hexandione with a variety of amines yielded the expected pyrrole analogues in excellent yields. The reactions were carried out under the ultimate green conditions excluding both catalyst and solvent applying simple stirring at room temperature. The variety of amines include aqueous ammonium hydroxide for the synthesis of pyrroles with a free NH group, and benzylamines, anilines and phenylene-diamines for the synthesis of several N-derivatized pyrroles. The reaction also occurs efficiently with a variety of 1,4-diketones, although the reaction rates and yields are lower for the diketones that do not possess terminal methyl group(s). This journal is

Sulfamic acid heterogenized on functionalized magnetic Fe3O4 nanoparticles with diaminoglyoxime as a green, efficient and reusable catalyst for one-pot synthesis of substituted pyrroles in aqueous phase

Veisi, Hojat,Mohammadi, Pourya,Gholami, Javad

, p. 868 - 873 (2015/02/19)

Surface functionalization of magnetic nanoparticles is an elegant way to bridge the gap between heterogeneous and homogeneous catalysis. We have conveniently loaded sulfonic acid groups on amino-functionalized Fe3O4 nanoparticles affording sulfamic acid-functionalized magnetic Fe3O4 nanoparticles (MNPs/DAG-SO3H) as an active and stable magnetically separable acidic nanocatalyst, which was characterized using X-ray diffraction, Fourier transform infrared and energy-dispersive X-ray spectroscopies, scanning and transmission electron microscopies, vibrating sample magnetometry and elemental analysis. The catalytic activity of MNPs/DAG-SO3H was probed through one-pot synthesis of N-substituted pyrroles from γ-diketones and primary amines in aqueous phase at room temperature. The heterogeneous catalyst could be recovered easily by applying an external magnet device and reused many times without significant loss of its catalytic activity.

An efficient and green procedure for synthesis of pyrrole derivatives by Paal-Knorr condensation using sodium dodecyl sulfate in aqueous micellar

Veisi, Hojat,Azadbakht, Reza,Ezadifar, Mehdi,Hemmati, Saba

, p. E241-E246 (2013/06/04)

A simple, economical, and green approach to the synthesis of N-substituted pyrroles using sodium dodecyl sulfate as surfactant in water is described. The experiment protocol features simple operations, and the products are isolated in high to excellent yields (60-98%).

Silica sulfuric acid (SSA) as a solid acid heterogeneous catalyst for one-pot synthesis of substituted pyrroles under solvent-free conditions at room temperature

Veisi, Hojat

scheme or table, p. 2109 - 2114 (2010/06/14)

A variety of N-substituted pyrroles have been synthesized by reacting γ-diketones with amines, diamines or triamine in the presence of silica sulfuric acid (SSA) at room temperature under solvent-free conditions. The experiment protocol features simple operations, and the products are isolated in high to excellent yields (70-98%).

One-pot synthesis of substituted pyrroles with N, N, N', N' -tetrachlorobenzene-1, 3-disulphonamide and N, N'-diiodo-N, N' -1, 2-ethanediylbis(p-toluenesulphonamide) as novel catalytic reagents

Ghorbani-Vaghei, Ramin,Veisi, Hojat

experimental part, p. 33 - 38 (2010/08/07)

In this research, N, N, N'N'-tetrachlorobenzene-1, 3-disulphonamide as novel catalytic reagent and 2V,2V'-diiodo-2V,2V'-1, 2-ethane- diylfeis(p-toluenesulphonamide) as new catalyst were used for the synthesis of V-substituted pyrroles in good to excellent yields under mild conditions. These reusable reagents were compared with existing reagents and it is clear that this study is a welcome addition in the field of pyrrole synthesis.

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