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1H-Indole,1-(1-methylethyl)-(9CI) is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

16885-99-7

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16885-99-7 Usage

General Description

1H-Indole,1-(1-methylethyl)-(9CI) is a chemical compound with the molecular formula C11H13N. It is an indole derivative with a branched isopropyl group attached to the nitrogen atom. 1H-Indole,1-(1-methylethyl)-(9CI) is commonly used as a building block in the synthesis of various pharmaceuticals and agrochemicals. It is also used as an intermediate in the production of dyes, perfumes, and flavorings. Additionally, it has been studied for its potential biological activities, including its role in modulating serotonin receptors in the brain. Overall, 1H-Indole,1-(1-methylethyl)-(9CI) has a wide range of applications in the fields of medicine, agriculture, and chemistry.

Check Digit Verification of cas no

The CAS Registry Mumber 16885-99-7 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 9 respectively.
Calculate Digit Verification of CAS Registry Number 16885-99:
(7*1)+(6*6)+(5*8)+(4*8)+(3*5)+(2*9)+(1*9)=157
157 % 10 = 7
So 16885-99-7 is a valid CAS Registry Number.

16885-99-7SDS

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-Isopropyl-1H-indole

1.2 Other means of identification

Product number -
Other names N-isopropylindole

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:16885-99-7 SDS

16885-99-7Relevant academic research and scientific papers

Copper-Catalyzed Synthesis of Indolyl Benzo[b]carbazoles and Their Photoluminescence Property

Hao, Tonggang,Huang, Long,Wei, Yin,Shi, Min

supporting information, p. 5133 - 5137 (2021/07/19)

A copper-catalyzed cascade cyclization of dihydroisobenzofurans with indoles for the rapid construction of indoly benzo[b]carbazoles has been reported, providing the desired products in moderate to good yields under mild conditions along with a broad substrate scope and good functional group tolerance. The photoluminescence property of these indoly benzo[b]carbazoles has also been investigated.

Rh(iii)-Catalyzed regioselective C4 alkylation of indoles with allylic alcohols: Direct access to β-indolyl ketones

Pan, Changduo,Huang, Gao,Shan, Yujia,Li, Yiting,Yu, Jin-Tao

supporting information, p. 3038 - 3042 (2020/05/08)

A Rh(iii)-catalyzed and weak coordination carbonyl guided direct C4 alkylation of indoles with allylic alcohols was developed with excellent regioselectivity. This reaction was conducted under mild conditions, leading to a variety of β-indolyl ketones with good functional group tolerance in moderate to good yields.

The palladium-catalyzed direct C3-cyanation of indoles using acetonitrile as the cyanide source

Feng, Kejun,Li, Qiang,Li, Yuanhua,Liu, Bifu,Liu, Min,Zhou, Yongbo

supporting information, p. 6108 - 6114 (2020/10/21)

The ligand-free palladium-catalyzed C3-cyanation of indoles via direct C-H functionalization was achieved. This protocol, utilizing CH3CN as a green and readily available cyanide source, produced the desired products in moderate to good yields through transition-metal-catalyzed C-CN bond cleavage. This journal is

Catalytic Tandem Friedel-Crafts Alkylation/C4-C3 Ring-Contraction Reaction: An Efficient Route for the Synthesis of Indolyl Cyclopropanecarbaldehydes and Ketones

Turnu, Francesca,Luridiana, Alberto,Cocco, Andrea,Porcu, Stefania,Frongia, Angelo,Sarais, Giorgia,Secci, Francesco

supporting information, p. 7329 - 7332 (2019/10/02)

A general strategy for the synthesis of indolyl cyclopropanecarbaldehydes and ketones via a Br?nsted acid-catalyzed indole nucleophilic addition/ring-contraction reaction sequence has been exploited. The procedure leads to a wide panel of cyclopropyl carbonyl compounds in generally high yields with a broad substrate scope.

Synthesis and anticancer activity of novel bisindolylhydroxymaleimide derivatives with potent GSK-3 kinase inhibition

Winfield, Hannah J.,Cahill, Michael M.,O'Shea, Kevin D.,Pierce, Larry T.,Robert, Thomas,Ruchaud, Sandrine,Bach, Stéphane,Marchand, Pascal,McCarthy, Florence O.

supporting information, p. 4209 - 4224 (2018/07/21)

Synthesis and biological evaluation of a series of novel indole derivatives as anticancer agents is described. A bisindolylmaleimide template has been derived as a versatile pharmacophore with which to pursue chemical diversification. Starting from maleimide, the introduction of an oxygen to the headgroup (hydroxymaleimide) was initially investigated and the bioactivity assessed by screening of kinase inhibitory activity, identifying substituent derived selectivity. Extension of the hydroxymaleimide template to incorporate substitution of the indole nitrogens was next completed and assessed again by kinase inhibition identifying unique selectivity patterns with respect to GSK-3 and CDK kinases. Subsequently, the anticancer activity of bisindolylmaleimides were assessed using the NCI-60 cell screen, disclosing the discovery of growth inhibitory profiles towards a number of cell lines, such as SNB-75 CNS cancer, A498 and UO-31 renal, MDA MB435 melanoma and a panel of leukemia cell lines. The potential for selective kinase inhibition by modulation of this template is evident and will inform future selective clinical candidates.

Isocyanide-Induced Activation of Copper Sulfate: Direct Access to Functionalized Heteroarene Sulfonic Esters

Hong, Xiaohu,Tan, Qitao,Liu, Bingxin,Xu, Bin

supporting information, p. 3961 - 3965 (2017/03/27)

A novel and direct approach to alkyl/aryl heteroarene sulfonic esters using copper sulfate as the environmentally benign inorganic sulfonation reagent was first realized with the aid of isocyanide. A variety of heterocycles reacted to afford the corresponding sulfonic esters through C?H functionalization. In this transformation, the otherwise inert copper sulfate was unusually activated by an isocyanide and employed as the source of the sulfonic substituents in an unprecedented fashion. The findings suggest that an appropriate activator may liberate the chemical activities of some relatively inert inorganic salts for organic synthesis.

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.

An Orally Bioavailable, Indole-3-glyoxylamide Based Series of Tubulin Polymerization Inhibitors Showing Tumor Growth Inhibition in a Mouse Xenograft Model of Head and Neck Cancer

Colley, Helen E.,Muthana, Munitta,Danson, Sarah J.,Jackson, Lucinda V.,Brett, Matthew L.,Harrison, Joanne,Coole, Sean F.,Mason, Daniel P.,Jennings, Luke R.,Wong, Melanie,Tulasi, Vamshi,Norman, Dennis,Lockey, Peter M.,Williams, Lynne,Dossetter, Alexander G.,Griffen, Edward J.,Thompson, Mark J.

, p. 9309 - 9333 (2015/12/23)

A number of indole-3-glyoxylamides have previously been reported as tubulin polymerization inhibitors, although none has yet been successfully developed clinically. We report here a new series of related compounds, modified according to a strategy of redu

Synthesis of N-Alkylated Indolines and Indoles from Indoline and Aliphatic Ketones

Bayindir, Sinan,Erdogan, Esra,Kilic, Haydar,Aydin, Omer,Saracoglu, Nurullah

supporting information, p. 1589 - 1594 (2015/10/06)

A survey of redox aminations of indoline with aliphatic ketones using bismuth nitrate as catalyst is described. A reaction of an equivalent amount of indoline and aliphatic cyclic and acyclic ketones provides a mixture of excessive alkylated indole derivatives over typically redox isomerization and reductive alkylation pathways while using of the five equivalent of indoline provides N-alkylated indolines as a reductive alkylation product. The desired N-alkyl indoles from the oxidation of N-alkyl indolines were obtained in excellent yields.

Probing the molecular and structural elements of ligands binding to the active site versus an allosteric pocket of the human farnesyl pyrophosphate synthase

Gritzalis, Dimitrios,Park, Jaeok,Chiu, Wei,Cho, Hyungjun,Lin, Yih-Shyan,De Schutter, Joris W.,Lacbay, Cyrus M.,Zielinski, Michal,Berghuis, Albert M.,Tsantrizos, Youla S.

supporting information, p. 1117 - 1123 (2015/02/19)

In order to explore the interactions of bisphosphonate ligands with the active site and an allosteric pocket of the human farnesyl pyrophosphate synthase (hFPPS), substituted indole and azabenzimidazole bisphosphonates were designed as chameleon ligands. NMR and crystallographic studies revealed that these compounds can occupy both sub-pockets of the active site cavity, as well as the allosteric pocket of hFPPS in the presence of the enzyme's Mg2+ ion cofactor. These results are consistent with the previously proposed hypothesis that the allosteric pocket of hFPPS, located near the active site, plays a feed-back regulatory role for this enzyme.

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