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1-Propyl-1H-indole, also known as N-propylindole, is a chemical compound with the molecular formula C11H13N. It is a derivative of indole, a common heterocyclic aromatic compound found in many natural products such as plants and animals. 1-propyl-1H-indole is characterized by its musky and floral odor, and it possesses potential anti-inflammatory and anticancer properties, making it a versatile molecule of interest in the fields of pharmaceuticals, agrochemicals, and flavor and fragrance industries.

16885-94-2

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16885-94-2 Usage

Uses

Used in Pharmaceutical and Agrochemical Industries:
1-Propyl-1H-indole is used as a building block in the synthesis of various pharmaceutical drugs and agrochemicals. Its unique chemical structure allows it to be incorporated into a wide range of molecules, enhancing their therapeutic or pesticidal properties.
Used in Flavor and Fragrance Industry:
1-Propyl-1H-indole is used as a flavor and fragrance ingredient due to its distinct musky and floral odor. It can be incorporated into perfumes, cosmetics, and other scented products to provide a pleasant and long-lasting aroma.
Used in Medicinal Chemistry Research:
1-Propyl-1H-indole has been studied for its potential anti-inflammatory and anticancer properties. Its ability to modulate biological pathways involved in inflammation and cancer makes it a promising candidate for the development of new therapeutic agents.

Check Digit Verification of cas no

The CAS Registry Mumber 16885-94-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,6,8,8 and 5 respectively; the second part has 2 digits, 9 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 16885-94:
(7*1)+(6*6)+(5*8)+(4*8)+(3*5)+(2*9)+(1*4)=152
152 % 10 = 2
So 16885-94-2 is a valid CAS Registry Number.

16885-94-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-propylindole

1.2 Other means of identification

Product number -
Other names 1-propyl-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:16885-94-2 SDS

16885-94-2Relevant academic research and scientific papers

Reduction of N-Acylsatins with Complex

Pinto, Angelo C.,Silva, Filipe Soares Q. da,Silva, Rosangela B. da

, p. 8923 - 8926 (1994)

N-acylsatins can be directly converted in high yields to N-alkylindoles by reduction, at room temperature, with freshly prepared BH3*THF complex.This reduction represents an alternative method for the preparation of N-alkylindoles with long-chain alkyl groups, especially those with halogens within the carbon chain.

Cesium carbonate promoted N-alkylation of indoles

Fink, David M.

, p. 2394 - 2396 (2004)

The N-alkylation of indoles with alkyl halides and epoxides, using cesium carbonate as the base in DMPU, is reported.

Identification of an indol-based derivative as potent and selective varicella zoster virus (VZV) inhibitor

Musella, Simona,di Sarno, Veronica,Ciaglia, Tania,Sala, Marina,Spensiero, Antonia,Scala, Maria Carmina,Ostacolo, Carmine,Andrei, Graciela,Balzarini, Jan,Snoeck, Robert,Novellino, Ettore,Campiglia, Pietro,Bertamino, Alessia,Gomez-Monterrey, Isabel M.

, p. 773 - 781 (2016)

We report the synthesis and antiviral activity of a new family of non-nucleoside antivirals, derived from the indole nucleus. Modifications of this template through Mannich and Friedel-Crafts reactions, coupled with nucleophilic displacement and reductive

Straightforward access to novel indolo[2,3-: B] indoles via aerobic copper-catalyzed [3+2] annulation of diarylamines and indoles

Gong, Lingzhen,Jiang, Huanfeng,Liang, Taoyuan,Zhang, Min,Zhao, He

supporting information, p. 2807 - 2810 (2020/03/13)

Herein, we report an unprecedented aerobic copper-catalyzed [3+2] annulation reaction of diarylamines with indoles, which allows direct access to novel 2-diarylaminoindolo[2,3-b]indoles, a class of potential photoelectric device molecules. The developed transformation proceeds with broad substrate scope, good functional group tolerance, high chemo-selectivity, and no need for pre-preparation of specific agents, which offers a practical route for diverse and atom-economic synthesis of the desired products that are difficult to prepare with the conventional approaches.

γ-Carboline synthesis enabled by Rh(iii)-catalysed regioselective C-H annulation

Jiang, Bo,Jia, Jingwen,Sun, Yufei,Wang, Yichun,Zeng, Jing,Bu, Xiubin,Shi, Liangliang,Sun, Xiaoying,Yang, Xiaobo

supporting information, p. 13389 - 13392 (2020/11/10)

A redox-neutral Rh(iii)-catalyzed C-H annulation of indolyl oximes was developed. Relying on the use of various alkynyl silanes as the terminal alkyne surrogates, the reaction exhibited a reverse regioselectivity, thus giving an exclusive and easy way for the synthesis of a wide range of substituent free γ-carbolines at C3 position with high efficiency. Deuterium-labelling experiments and kinetic analysis have preliminarily shed light on the working mode of this catalytic system. This journal is

Cobalt-Catalyzed Regioselective Direct C-4 Alkenylation of 3-Acetylindole with Michael Acceptors Using a Weakly Coordinating Functional Group

Banjare, Shyam Kumar,Nanda, Tanmayee,Ravikumar

supporting information, p. 8138 - 8143 (2019/10/14)

Herein, we disclosed the first report on the selective C(4)-H functionalization of 3-acetylindole derivatives using first-row transition metal cobalt where an acetyl group is acting as a weakly coordinating directing group. Selective C(4)-H functionalization has been achieved using diverse Michael acceptors (acrylate and maleimide) simply by switching the additive from copper acetate to silver carbonate. Further the formation of a cobaltacycle intermediate was also detected through HRMS for mechanistic insight.

Divergent dehydrogenative coupling of indolines with alcohols

Jiang, Xue,Tang, Weijun,Xue, Dong,Xiao, Jianliang,Wang, Chao

, p. 1831 - 1835 (2017/08/01)

The dehydrogenative coupling of indolines with alcohols catalyzed by an iridium complex has been achieved to afford both N- and C3-alkylated indoles selectively, by simply changing the addition time of a base additive. The iridacycle catalyst plays multiple roles in these reactions, which dehydrogenates both amines and alcohols and catalyzes the coupling reactions. Mechanistic studies reveal that a borrowing hydrogen-dehydrogenation process and a dehydrogenationborrowing hydrogen process are involved in N-alkylation and C3-alkylation reactions, respectively. The C3-alkylation reaction involves the direct coupling of two sp3 carbon centers.

Introducing tetramethylurea as a new methylene precursor: a microwave-assisted RuCl3-catalyzed cross dehydrogenative coupling approach to bis(indolyl)methanes

Deb, Mohit L.,Borpatra, Paran J.,Saikia, Prakash J.,Baruah, Pranjal K.

supporting information, p. 1435 - 1443 (2017/02/15)

Herein we report a microwave assisted Ru(iii)/TBHP-mediated reaction of indoles with tetramethylurea (TMU) synthesizing symmetrical as well as unsymmetrical bis(indolyl)methanes, where TMU acts as a methylenating agent. This is the first report where TMU is used as a methylene source. Moreover, the synthesis of unsymmetrical bis(indolyl)methanes by using a carbon precursor is also reported herein for the first time. Various substituted indoles are used for the reaction. The reaction is high yielding and takes a much shorter time to accomplish compared to the existing methods.

Gold-catalyzed oxidative couplings of two indoles with one aryldiazo cyanide under oxidant-free conditions

Singh, Rahulkumar Rajmani,Liu, Rai-Shung

supporting information, p. 4593 - 4596 (2017/04/28)

Gold-catalyzed oxidative couplings of two indoles and one α-cyano gold carbene to form bis(indolyl)methane derivatives are described. Two different indoles are compatible with these reactions to provide reasonable yields. A plausible mechanism is postulated to rationalize the experimental data including product distributions, D2O labeling, and the significant effects of gold catalysts and cyano groups.

OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE

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Paragraph 0307; 0308; 0334, (2016/08/03)

A liquid crystal composition is described, containing an achiral component T and a chiral dopant and exhibiting an optically isotropic liquid crystal phase. The achiral component T contains at least one compound represented by formula (1). In formula (1),

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