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3-CYANO-2-METHYLINDOLE, a chemical compound with the molecular formula C10H8N2O, is a derivative of indole, a heterocyclic aromatic organic compound. It is characterized by its yellow crystalline powder form and is utilized in various applications due to its unique chemical properties and interactions with biological targets.

51072-83-4

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51072-83-4 Usage

Uses

Used in Pharmaceutical Industry:
3-CYANO-2-METHYLINDOLE is used as a chemical intermediate for the synthesis of various biologically active compounds. Its ability to interact with biological targets and modulate their activity makes it a valuable component in the development of new drugs.
Used in Cancer Treatment Research:
In the field of oncology, 3-CYANO-2-METHYLINDOLE is used as a research compound for the development of new drugs aimed at treating cancer. Its potential applications in this area are attributed to its capacity to engage with and influence biological processes relevant to cancer progression and treatment.
Used in Inflammatory Disease Research:
3-CYANO-2-METHYLINDOLE is also utilized in the research and development of treatments for inflammatory diseases. Its role in this context is due to its potential to modulate the activity of biological targets involved in inflammation, offering a pathway to new therapeutic approaches.
Used in Neurological Disorder Research:
In the realm of neurology, 3-CYANO-2-METHYLINDOLE is used as a research tool for studying and potentially treating neurological disorders. Its interaction with specific biological targets makes it a candidate for further exploration in the development of therapies for such conditions.
Used in Research Laboratories:
3-CYANO-2-METHYLINDOLE is used in research laboratories for the study of chemical reactions and biological processes. Its presence in these settings is crucial for advancing understanding in various scientific disciplines, including organic chemistry and biochemistry.

Check Digit Verification of cas no

The CAS Registry Mumber 51072-83-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,1,0,7 and 2 respectively; the second part has 2 digits, 8 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 51072-83:
(7*5)+(6*1)+(5*0)+(4*7)+(3*2)+(2*8)+(1*3)=94
94 % 10 = 4
So 51072-83-4 is a valid CAS Registry Number.
InChI:InChI=1/C10H11N3/c1-6-9(10(11)12)7-4-2-3-5-8(7)13-6/h2-5,13H,1H3,(H3,11,12)

51072-83-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Methyl-1H-indole-3-carbonitrile

1.2 Other means of identification

Product number -
Other names 2-methyl-1H-indole-3-carbonitrile

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:51072-83-4 SDS

51072-83-4Relevant academic research and scientific papers

Copper-catalyzed synthesis and anticancer activity evaluation of indolo[1,2-a]quinoline derivatives

Borwornpinyo, Suparerk,Chuanopparat, Nutthawat,Jearawuttanakul, Kedchin,Kanjanasirirat, Phongthon,Ngernmeesri, Paiboon,Rattanarat, Hassayaporn,Seemakhan, Sawinee,Thanetchaiyakup, Adisak

, (2021/09/14)

A simple and effective one-pot synthesis of substituted indolo[1,2-a]quinolines has been developed. The desired products were obtained in up to 98% yield when substituted 2-methyindoles were treated with 2-iodobenzaldehyde in the presence of Cs2CO3, CuI and L-proline. Our mechanistic study confirmed that the reaction sequence involved an intermolecular Knoevenagel reaction followed by an intramolecular Ullmann-type coupling reaction. Moreover, some of the synthesized compounds were found to be active against human breast (MCF-7) and colorectal (HCT-116) cancer cells with IC50 values of 27.96 μM and in the range of 6.21–46.91 μM, respectively.

An expedient route to tricyanovinylindoles and indolylmaleimides fromo-alkynylanilines utilising DMSO as a one-carbon synthon

Chakraborty, Nikita,Dahiya, Anjali,Modi, Anju,Patel, Bhisma K.,Rakshit, Amitava

supporting information, p. 6847 - 6857 (2021/08/20)

A Pd(ii)/Cu(ii) catalysed domino synthesis of tricyanovinylindoles has been achieved using DMSO as a one-carbon synthon. The reaction proceedsviathe construction of 2-aryl-3-formyl indole followed by sequential addition of malononitrile and a CN resulting

GaCl3-Catalyzed C-H Cyanation of Indoles with N-Cyanosuccinimide

Wang, Xue,Makha, Mohamed,Chen, Shu-Wei,Zheng, Huaiji,Li, Yuehui

, p. 6199 - 6206 (2019/05/24)

An efficient GaCl3-catalyzed direct cyanation of indoles and pyrroles using bench-stable electrophilic cyanating agent N-cyanosuccinimide was achieved and afforded 3-cyanoindoles and 2-cyanopyrroles in good yields and excellent regioselectivities. Notably, this protocol exhibited high reactivity for unprotected indoles and was applicable to a broad range of indole and pyrrole substrates.

Palladium-Catalyzed Late-Stage Direct Arene Cyanation

Zhao, Da,Xu, Peng,Ritter, Tobias

supporting information, p. 97 - 107 (2019/01/21)

Methods for direct benzonitrile synthesis are sparse, despite the versatility of cyano groups in organic synthesis and the importance of benzonitriles for the dye, agrochemical, and pharmaceutical industries. We report the first general late-stage aryl C–H cyanation with broad substrate scope and functional-group tolerance. The reaction is enabled by a dual-ligand combination of quinoxaline and an amino acid-derived ligand. The method is applicable to direct cyanation of several marketed small-molecule drugs, common pharmacophores, and organic dyes. Benzonitriles are some of the most versatile building blocks for organic synthesis, in particular in the pharmaceutical industry, but general methods to make them by direct C–H functionalization are unknown. In this issue of Chem, Ritter and coworkers describe a late-stage aryl C–H cyanation with broad substrate scope and functional-group tolerance, enabled by a palladium-dual-ligand catalyst system. The reaction may serve for the late-stage modification of drug candidates. Aryl nitriles constitute an important class of organic compounds that are widely found in natural products, pharmaceuticals, agricultural chemicals, dyes, and materials. Moreover, nitriles are versatile building blocks to access numerous other important molecular structure groups. However, no general method for direct aromatic C–H cyanation is known. All approaches to date require either an appropriate directing group or reactive electron-rich substrates, such as indoles, which limit their synthetic applications. Here we describe an undirected, palladium-catalyzed late-stage aryl C–H cyanation reaction for the synthesis of complex aryl nitriles that would otherwise be more challenging to produce. The wide substrate scope and good functional-group tolerance of this reaction provide direct and quick access to structural diversity for pharmaceutical and agrochemical development.

One-pot synthesis of substituted indolo[1,2-a]quinolines under transition-metal-free conditions

Thanetchaiyakup, Adisak,Rattanarat, Hassayaporn,Chuanopparat, Nutthawat,Ngernmeesri, Paiboon

, p. 1014 - 1018 (2018/02/23)

A simple and efficient one-pot synthesis of substituted indolo[1,2-a]quinolines under transition-metal-free conditions has been developed. When 2-fluorobenzaldehyde was treated with substituted 2-methylindoles in the presence of Cs2CO3, the desired products were typically obtained in good to excellent yields. This reaction sequence involves a nucleophilic aromatic substitution and a Knoevenagel condensation reaction. Our mechanistic investigation revealed that both reactions could proceed as an intermolecular reaction in the first step.

Iodobenzene Dichloride/Zinc Chloride-Mediated Synthesis of N-Alkoxyindole-3-carbonitriles from 3-Alkoxyimino-2-arylalkylnitriles via Intramolecular Heterocyclization

Yun, Zhongxiang,Cheng, Ran,Sun, Jiyun,Zhang-Negrerie, Daisy,Du, Yunfei

supporting information, p. 250 - 254 (2017/11/13)

A series of N-alkoxyindole-3-carbonitriles were synthesized, under mild conditions, via intramolecular heterocyclization of the readily available 3-alkoxyimino-2-arylalkylnitriles mediated by iodobenzene dichloride/zinc chloride. The mechanism of the reaction proposes the formation of a key intermediate of nitrenium cation from a chlorination and dechlorination process facilitated by the hypervalent iodine reagent and Lewis acid respectively. (Figure presented.).

A facile and efficient synthesis of 3-cyanoindoles by a simple palladium(II)-catalyzed C─H activation of indoles

Chu, Hailiang,Guo, Mengping,Yi, Yanping,Wen, Yongju,Zhou, Lanjiang,Huang, Hongwei

, (2017/09/01)

An efficient trans-PdCl2(NH2CH2COOH)2-catalyzed direct C3-cyanation of indole C─H bonds is described. Notably, free (N─H)-indoles reacted smoothly using the procedure, and the desired product 3-cyanoindoles were obtained in good to excellent yields.

Selective access to 3-cyano-1 H -indoles, 9 H -pyrimido[4,5- b ]indoles, or 9 H -Pyrido[2,3- b ]indoles through copper-catalyzed one-pot multicomponent cascade reactions

Li, Bin,Guo, Shenghai,Zhang, Ju,Zhang, Xinying,Fan, Xuesen

, p. 5444 - 5456 (2015/06/16)

Novel and selective synthetic approaches toward indole derivatives via copper-catalyzed one-pot multicomponent cascade reactions of 1-bromo-2-(2,2-dibromovinyl)benzenes with aldehydes and aqueous ammonia are presented. Intriguingly, the concentration of a

Cyanation of indoles with benzyl cyanide as the cyanide anion surrogate

Zhang, Lianpeng,Wen, Qiaodong,Jin, Jisong,Wang, Chen,Lu, Ping,Wang, Yanguang

, p. 4236 - 4240 (2013/06/26)

A copper-mediated direct cyanation of indoles with benzyl cyanide as the cyanide anion surrogate has been achieved. The cascade reaction furnished 3-cyanoindoles under mild reaction conditions in good to excellent yields with various functional groups tolerance.

Palladium-catalyzed C(sp2) - H cyanation using tertiary amine derived isocyanide as a cyano source

Peng, Jiangling,Zhao, Jiaji,Hu, Ziwei,Liang, Dongdong,Huang, Jinbo,Zhu, Qiang

supporting information, p. 4966 - 4969,4 (2012/12/12)

An unprecedented palladium-catalyzed cyanation of aromatic C-H bonds by using tertiary amine derived isocyanide as a novel cyano source was developed. Cu(TFA)2 was used as a requisite stoichiometric oxidant. Mechanistic studies suggest that a tertiary carbon cation-based intermediate is involved following the C-N bond breakage.

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