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4-(1H-Pyrrol-1-yl)aniline, also known as N-phenylpyrrole, is a chemical compound characterized by the molecular formula C11H10N2. It presents as a yellowish to brownish solid, exhibiting limited solubility in water but good solubility in organic solvents. 4-(1H-PYRROL-1-YL)ANILINE serves as a versatile intermediate in the synthesis of a range of products, including pharmaceuticals, dyes, and agrochemicals, and contributes as a building block in the creation of various organic compounds. Additionally, it has been recognized for its antimicrobial and antifungal properties, which hold potential for the development of new drugs and treatments. However, due to its potential hazards, careful handling is required to ensure safety.

52768-17-9

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52768-17-9 Usage

Uses

Used in Pharmaceutical Industry:
4-(1H-Pyrrol-1-yl)aniline is utilized as an intermediate in the synthesis of pharmaceuticals for its ability to contribute to the development of new drugs and treatments. Its antimicrobial and antifungal properties make it a valuable component in the formulation of medications targeting a variety of infections.
Used in Dye Industry:
In the dye industry, 4-(1H-Pyrrol-1-yl)aniline is employed as an intermediate in the production of dyes, capitalizing on its chemical structure to create a spectrum of colorants for various applications.
Used in Agrochemical Industry:
4-(1H-Pyrrol-1-yl)aniline serves as an intermediate in the synthesis of agrochemicals, where it plays a role in developing compounds for agricultural applications such as pesticides and herbicides.
Used in Organic Compounds Production:
As a building block, 4-(1H-Pyrrol-1-yl)aniline is used in the production of various organic compounds, contributing to the synthesis of a wide array of chemical products with diverse applications.
Used in Antimicrobial and Antifungal Applications:
Due to its inherent antimicrobial and antifungal properties, 4-(1H-Pyrrol-1-yl)aniline is used in the development of treatments for microbial and fungal infections, offering a potential avenue for new therapeutic approaches.

Check Digit Verification of cas no

The CAS Registry Mumber 52768-17-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,2,7,6 and 8 respectively; the second part has 2 digits, 1 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 52768-17:
(7*5)+(6*2)+(5*7)+(4*6)+(3*8)+(2*1)+(1*7)=139
139 % 10 = 9
So 52768-17-9 is a valid CAS Registry Number.
InChI:InChI=1/C10H10N2/c11-9-3-5-10(6-4-9)12-7-1-2-8-12/h1-8H,11H2

52768-17-9SDS

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 4-(1H-Pyrrol-1-yl)aniline

1.2 Other means of identification

Product number -
Other names 4-pyrrol-1-ylaniline

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:52768-17-9 SDS

52768-17-9Relevant academic research and scientific papers

SnCl2 catalyzed direct synthesis of pyrroles under aqueous conditions

Tejeswararao,Srikanth

, p. 795 - 802 (2020/03/24)

Synthetic substituted pyrroles are related with interesting biological activities, yet they remain inadequately explored within drug discovery. Late years have seen a growing interest in synthetic approaches that can provide access to structurally novel pyrroles so that the biological usefulness of this compound class can be more fully investigated. Herein, an efficient and versatile practical protocol for the pyrroles using stannous(II) chloride dihydrate as catalyst is described under aqueous conditions at 55 oC in high yields. Also, this method is applicable for the preparation of diversity and oriented pyrrole derivatives.

Purpurine derivative electrochromic material and preparation method thereof

-

, (2019/10/01)

The invention discloses a purpurine derivative electrochromic material and a preparation method thereof. The preparation method comprises the steps that 4,4'-dipyridine is adopted as a raw material and undergoes a Menschutkin reaction with 1-chloro-2,4-di

HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE

-

Paragraph 0266-0267, (2019/05/15)

Provided are a heterocyclic carboxylic acid amide ligand and applications thereof in a copper catalyzed coupling reaction. Specifically, provided are uses of a compound represented by formula (I), definitions of radical groups being described in the specifications. The compound represented by formula (I) can be used as the ligand in the copper catalyzed coupling reaction of the aryl halogeno substitute, and is used or catalyzing the coupling reaction for forming the aryl halogeno substitute having C—N, C—O, C—S and other bonds.

Oxalic amide ligands, and uses thereof in copper-catalyzed coupling reaction of aryl halides

-

Page/Page column 89-90, (2020/01/09)

The present invention provides oxalic amide ligands and uses thereof in copper-catalyzed coupling reaction of aryl halides. Specifically, the present invention provides a use of a compound represented by formula I, wherein definitions of each group are described in the specification. The compound represented by formula I can be used as a ligand in copper-catalyzed coupling reaction of aryl halides for the formation of C—N, C—O and C—S bonds.

Novel substituted benzoyl compound and its pharmaceutically acceptable salt and preparation method and application (by machine translation)

-

Paragraph 0045; 0048; 0056-0057, (2019/11/13)

The invention relates to the general formula I shown novel substituted benzoyl compound and its pharmaceutically acceptable salt and preparation method and application. The invention also provides pharmaceutical compositions containing them, in vitro and in vivo anti-tumor effect results and acute toxicity study, the obtained anti-tumor drug model substituted benzoyl compound, has more excellent anti-tumor activity and safety, can be in the treatment of leukemia, lung cancer, colon cancer, ovarian cancer and renal carcinoma tumor in the application, so that the therapeutic window, so in the medical field as antitumor agents in the very application value. (by machine translation)

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

Yonekura, Kyohei,Oki, Kenji,Tsuchimoto, Teruhisa

supporting information, 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.).

Carbon nitride supported palladium nanoparticles: An active system for the reduction of aromatic nitro-compounds

Nandi, Debkumar,Siwal, Samarjeet,Choudhary, Meenakshi,Mallick, Kaushik

, p. 31 - 38 (2016/06/09)

Synthesis of carbon nitride supported highly dispersed ultrafine palladium nanoparticles has been reported for the reduction of aromatic nitro-compounds using hydrazine hydrate as a reducing agent. As a demonstration, the as-synthesized carbon nitride-palladium composite was shown to be a highly active and chemo-selective for the title reaction. Utilizing the optimized reaction conditions a set of aromatic nitro compounds have been converted to their corresponding amine derivatives with good to excellent yield ranging from 80% to 99%. The catalyst can be used for multiple times without affecting the catalytic performance and can also be stored for a long time at ambient condition maintaining the high catalytic efficiency.

Design, synthesis and structure - activity relationship of oxazolidinone derivatives containing novel S4 ligand as FXa inhibitors

Zhao, Yanfang,Jiang, Mingyan,Zhou, Shunguang,Wu, Shasha,Zhang, Xiaolong,Ma, Longsheng,Zhang, Kai,Gong, Ping

, p. 369 - 380 (2015/05/05)

Abstract A novel series of potent and efficacious factor Xa inhibitors which possesses pyrrole/indole/thiazole moieties as S4 binding element was identified. Compound 7b showed strong human factor Xa inhibitory activity (IC50 = 2.01 nM) and ant

An efficient heterogeneous catalytic method for the N-arylation of pyrrole and other N-heterocycles

Nmeth, Jnos,Debreczeni, Nra,Gresits, Ivn,Blint, Mria,Hell, Zoltn

, p. 1113 - 1119 (2015/08/06)

Abstract 4 ? molecular sieve modified with copper(0) or copper(II) is an efficient heterogeneous catalyst for the arylation of pyrrole and some other heterocycles with iodo- or bromoarenes, Cs2CO3 base and pyrrole (or DMF) solvent. The catalysts can be easily prepared and are reusable.

Nickel-catalyzed monoarylation of ammonia

Borzenko, Andrey,Rotta-Loria, Nicolas L.,Macqueen, Preston M.,Lavoie, Christopher M.,McDonald, Robert,Stradiotto, Mark

supporting information, p. 3773 - 3777 (2015/03/18)

Structurally diverse (hetero)aryl chloride, bromide, and tosylate electrophiles were employed in the Ni-catalyzed monoarylation of ammonia, including chemoselective transformations. The employed JosiPhos/[Ni(cod)2] catalyst system enables the use of commercially available stock solutions of ammonia, or the use of ammonia gas in these reactions, thereby demonstrating the versatility and potential scalability of the reported protocol. Proof-of-principle experiments established that air-stable [(JosiPhos)NiCl2] precatalysts can be employed successfully in such transformations. Lighten Up: The substrate scope of the title reaction includes (hetero)aryl chloride, bromide, and tosylate electrophiles. The versatility and potential scalability of the reported method is demonstrated by the use of either commercially available stock solutions of ammonia or ammonia gas.

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